Glycinamide-beta-carboline-3-carboxylate methyl ester

Formula:C15H13N3O3 CAS:100009-01-6

PropertyValue
Casrn100009-01-6
MolNameGlycinamide-beta-carboline-3-carboxylate methyl ester
MolecularFormulaC15H13N3O3
SmilesCOC(CNC(c1ncc2[nH]c(cccc3)c3c2c1)=O)=O
InChIInChI=1S/C15H13N3O3/c1-21-14(19)8-17-15(20)12-6-10-9-4-2-3-5-11(9)18-13(10)7-16-12/h2-7,18H,8H2,1H3,(H,17,20)
InChIKKRSQNSNAAQYQQW-UHFFFAOYSA-N
CanonicalSyTyLFyd854f301be224444
TotalMolweight283.286
Molweight283.286
MonoisotopicMass283.095692
CLogP1.0657
CLogS-2.779
H Acceptors6
H Donors2
TotalSurfaceArea213.77
Relative PSA0.33915
PolarSurfaceArea84.08
Druglikeness-2.3895
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functions
Shape Index0.61905
Molecula Flexibility0.23343
Molecular Complexity0.82626
Fragments1
Non HAtoms21
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond4
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms13
Sp3Atoms3
Amides1
Aromatic Nitrogens2
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
1000018-23-4nonenonenoneC12H17N3O3251.2852.8124
100020-34-6nonenonenoneC13H18S2238.418-0.23079
1000269-66-8nonenonenoneC12H20N4220.3190.5423
100004-94-2nonenonenoneC13H11NO2213.235-1.5864
100-90-3nonenonenoneC14H16N4O3S320.3724.7301
1000339-23-0nonenonenoneC6H5N2O2Br217.022-3.3311
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78
1000339-34-3nonenonenoneC11H12N3OBr282.14-5.9074
1000120-98-8highnonehighC230H305N67O122P19S197158.06-20.81
017257-81-7nonenonenoneC6H10O2114.1430.9106
1000296-70-7nonenonenoneC19H27NO7S3477.6213.1322
10-00-4nonenonenoneC28H34O8498.57-4.8409
100009-88-9nonenonenoneC18H45N7359.604-4.1108
1000-30-2nonenonehighC9H16O140.225-7.4662
100-99-2nonenonelowC12H27Al198.328-22.009
10003-73-3nonenonenoneHCl.C7H10N2122.17-2.0712
1000-77-7highhighnoneHCl.C6H15NO6S2261.3181.5333
1000-63-1nonenonehighC8H18O130.23-19.78
100-87-8nonenonenoneC7H8O3S172.204-10.732
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075
100-18-5nonenonenoneC12H18162.275-2.5088
100004-79-3nonenonenoneC13H11NO2213.235-1.5864
1000-23-3highhighlowC4H6O4Cl2Sn307.704-8.6766
10-31-2001nonenonenoneC21H28NO6P421.428-10.542
1000-43-7highhighhighC8H18Cl2Si213.223-31.848
10001-51-1nonenonenoneC9H18N2O170.2555.9677
1000339-28-5nonenonenoneC14H8N2OBrCl335.588-0.59356
10-13-2009nonenonenoneC15H14O5274.271-1.4702
100032-79-9nonehighnoneC6H6N3O2Br.HCl232.037-11.653
100-39-0highhighnoneC7H7Br171.037-7.8241
1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449
100010-99-9nonenonenoneC11H24O2188.31-23.185
100020-83-5nonenonelowC7H11O3B153.972-20.814
100019-40-7nonenonenoneC14H15NO3245.277-1.947
100-82-3nonenonenoneC7H8NF125.146-3.4112
100-51-6highhighhighC7H8O108.14-2.2456
1000-67-5nonenonehighC4H9O4S.Na153.177-10.412
100009-99-2lowhighnoneC21H25NO4355.4332.9337
1000339-22-9nonenonenoneC8H5NO4F2217.127-8.0943
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529
1000-50-6nonenonehighC6H15ClSi150.724-84.768
1000269-51-1nonenonenoneC13H12NO4B257.052-12.285
1000339-26-3nonenonenoneC14H7N2OBrCl2370.033-0.59356
1000018-40-5lowhighnoneC11H16N2O2S240.3261.4856
1000152-84-0nonenonenoneC6H2NBr2F3304.891-10.75
1000335-27-2nonenonenoneC10H15N4OCl242.7090.81574
100-01-6nonenonenoneC6H6N2O2138.126-7.2389
1000018-10-9nonenonenoneC7H8N2OBr2295.962-5.2121
1000-78-8highlownoneC11H24N2184.326-10.254
100-25-4nonenonenoneC6H4N2O4168.108-7.74
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793
100-32-3nonenonenoneC12H8N2O4S2308.338-7.3436
1000068-26-7nonenonenoneC13H15NO4BF279.074-46.077
10003-94-8nonenonenoneC9H16N2O18P4564.118-31.509
100-54-9nonenonenoneC6H4N2104.112-6.0498
100-91-4nonenonehighC17H25NO3291.393.3475
1000-40-4highnonelowC10H24S2Sn327.143-7.0269
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077
100021-47-4nonenonenoneC13H17N5O6339.307-2.7249
10001-46-4nonenonenoneC9H11N3O3209.2041.9565