(2S)-2-(cyclopentylamino)-3-(1H-indol-3-yl)propanamide

C16H21N3O — CID 91153843

IUPAC(2S)-2-(cyclopentylamino)-3-(1H-indol-3-yl)propanamide
SMILESNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC1CCCC1
InChIInChI=1S/C16H21N3O/c17-16(20)15(19-12-5-1-2-6-12)9-11-10-18-14-8-4-3-7-13(11)14/h3-4,7-8,10,12,15,18-19H,1-2,5-6,9H2,(H2,17,20)/t15-/m0/s1
InChIKeyIYUJJRXGJHESRR-HNNXBMFYSA-N
MW271.36 g/mol
LogP2.10
Rot. Bonds5

About (2S)-2-(cyclopentylamino)-3-(1H-indol-3-yl)propanamide

(2S)-2-(cyclopentylamino)-3-(1H-indol-3-yl)propanamide (PubChem CID 91153843) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S)-2-(cyclopentylamino)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(cyclopentylamino)-3-(1H-indol-3-yl)propanamide
PubChem CID91153843
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(2S)-2-(cyclopentylamino)-3-(1H-indol-3-yl)propanamide
SMILESNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC1CCCC1
InChIInChI=1S/C16H21N3O/c17-16(20)15(19-12-5-1-2-6-12)9-11-10-18-14-8-4-3-7-13(11)14/h3-4,7-8,10,12,15,18-19H,1-2,5-6,9H2,(H2,17,20)/t15-/m0/s1
InChIKeyIYUJJRXGJHESRR-HNNXBMFYSA-N
XLogP2.10
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylamino)-3-(1H-indol-3-yl)propanoic acid
CID 68626670
2-[[4-(dimethylamino)-4-phenylcyclohexyl]amino]-3-(1H-indol-3-yl)propanamide;dihydrochloride
CID 68785177
[(1R)-1-(cyclohexylamino)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl] carbamate
CID 175552962
[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate
CID 175275526
2-(2-ethylbutylamino)-3-(1H-indol-3-yl)propanamide
CID 175938556
benzyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 9209002
N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanamide
CID 3110641
N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(cyclohexylcarbamoylamino)-4,5-dihydroxycyclohexene-1-carboxamide
CID 3711533
N-[(2S)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide
CID 26001788
phenyl N-[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 3136694
tert-butyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 10666931
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]cyclopropanamine
CID 95732551

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclopentylamino)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of (2S)-2-(cyclopentylamino)-3-(1H-indol-3-yl)propanamide (CID 91153843) is (2S)-2-(cyclopentylamino)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-(cyclopentylamino)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for (2S)-2-(cyclopentylamino)-3-(1H-indol-3-yl)propanamide is NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC1CCCC1.
What is the InChIKey of (2S)-2-(cyclopentylamino)-3-(1H-indol-3-yl)propanamide?
The InChIKey is IYUJJRXGJHESRR-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-16(20)15(19-12-5-1-2-6-12)9-11-10-18-14-8-4-3-7-13(11)14/h3-4,7-8,10,12,15,18-19H,1-2,5-6,9H2,(H2,17,20)/t15-/m0/s1.
What are the key properties of (2S)-2-(cyclopentylamino)-3-(1H-indol-3-yl)propanamide?
(2S)-2-(cyclopentylamino)-3-(1H-indol-3-yl)propanamide has a molecular weight of 271.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclopentylamino)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 91153843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).