benzyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate

C24H27N3O3 — CID 9209002

IUPACbenzyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
SMILESO=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCC1)OCc1ccccc1
InChIInChI=1S/C24H27N3O3/c28-23(26-19-10-4-5-11-19)22(14-18-15-25-21-13-7-6-12-20(18)21)27-24(29)30-16-17-8-2-1-3-9-17/h1-3,6-9,12-13,15,19,22,25H,4-5,10-11,14,16H2,(H,26,28)(H,27,29)/t22-/m0/s1
InChIKeyYGYFPDSJBHYLOI-QFIPXVFZSA-N
MW405.50 g/mol
LogP4.06
Rot. Bonds7

About benzyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate

benzyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate (PubChem CID 9209002) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is benzyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
PubChem CID9209002
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Namebenzyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
SMILESO=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCC1)OCc1ccccc1
InChIInChI=1S/C24H27N3O3/c28-23(26-19-10-4-5-11-19)22(14-18-15-25-21-13-7-6-12-20(18)21)27-24(29)30-16-17-8-2-1-3-9-17/h1-3,6-9,12-13,15,19,22,25H,4-5,10-11,14,16H2,(H,26,28)(H,27,29)/t22-/m0/s1
InChIKeyYGYFPDSJBHYLOI-QFIPXVFZSA-N
XLogP4.06
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(2S)-1-(cyclopropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 7997575
benzyl N-[(2S)-3-(1H-indol-3-yl)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]carbamate
CID 126008458
benzyl N-[(2S)-3-(1H-indol-3-yl)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]carbamate
CID 126008452
ethyl 4-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]piperidine-1-carboxylate
CID 24554003
phenyl N-[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 3136694
benzyl N-[3-(1H-indol-3-yl)-1-[2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethylamino]-1-oxopropan-2-yl]carbamate
CID 67400051
benzyl N-[(2R)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 40987693
(2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
CID 14160293
tert-butyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 10666931
(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate
CID 6923352
benzyl 2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 3704097
benzyl N-[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 21074410

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate (CID 9209002) is benzyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate is O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?
The InChIKey is YGYFPDSJBHYLOI-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H27N3O3/c28-23(26-19-10-4-5-11-19)22(14-18-15-25-21-13-7-6-12-20(18)21)27-24(29)30-16-17-8-2-1-3-9-17/h1-3,6-9,12-13,15,19,22,25H,4-5,10-11,14,16H2,(H,26,28)(H,27,29)/t22-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?
benzyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate has a molecular weight of 405.50 g/mol, XLogP of 4.06, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 9209002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).