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

C22H23N3O3 — CID 7997575

IUPACbenzyl N-[(2S)-1-(cyclopropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
SMILESO=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CC1)OCc1ccccc1
InChIInChI=1S/C22H23N3O3/c26-21(24-17-10-11-17)20(12-16-13-23-19-9-5-4-8-18(16)19)25-22(27)28-14-15-6-2-1-3-7-15/h1-9,13,17,20,23H,10-12,14H2,(H,24,26)(H,25,27)/t20-/m0/s1
InChIKeyDQGNVHXEVXYTJP-FQEVSTJZSA-N
MW377.44 g/mol
LogP3.28
Rot. Bonds7

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

benzyl N-[(2S)-1-(cyclopropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate (PubChem CID 7997575) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is benzyl N-[(2S)-1-(cyclopropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-(cyclopropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
PubChem CID7997575
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Namebenzyl N-[(2S)-1-(cyclopropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
SMILESO=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CC1)OCc1ccccc1
InChIInChI=1S/C22H23N3O3/c26-21(24-17-10-11-17)20(12-16-13-23-19-9-5-4-8-18(16)19)25-22(27)28-14-15-6-2-1-3-7-15/h1-9,13,17,20,23H,10-12,14H2,(H,24,26)(H,25,27)/t20-/m0/s1
InChIKeyDQGNVHXEVXYTJP-FQEVSTJZSA-N
XLogP3.28
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 9209002
ethyl 4-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]piperidine-1-carboxylate
CID 24554003
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
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
(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
benzyl N-[(2S)-1-(butan-2-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 24638515
2-(benzylcarbamoylamino)-N-cyclopropyl-3-(1H-indol-3-yl)propanamide
CID 110625943

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-(cyclopropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-(cyclopropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate (CID 7997575) is benzyl N-[(2S)-1-(cyclopropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-(cyclopropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-(cyclopropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate is O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-1-(cyclopropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?
The InChIKey is DQGNVHXEVXYTJP-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-21(24-17-10-11-17)20(12-16-13-23-19-9-5-4-8-18(16)19)25-22(27)28-14-15-6-2-1-3-7-15/h1-9,13,17,20,23H,10-12,14H2,(H,24,26)(H,25,27)/t20-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-(cyclopropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?
benzyl N-[(2S)-1-(cyclopropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate has a molecular weight of 377.44 g/mol, XLogP of 3.28, 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-(cyclopropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 7997575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).