(2S)-N-[1-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide

C15H17N3O2 — CID 67162995

IUPAC(2S)-N-[1-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCC(NC(=O)[C@@H]1CCC(=O)N1)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H17N3O2/c1-9(16-15(20)12-6-7-14(19)18-12)13-8-10-4-2-3-5-11(10)17-13/h2-5,8-9,12,17H,6-7H2,1H3,(H,16,20)(H,18,19)/t9?,12-/m0/s1
InChIKeyBJNLTMJUDJQSAC-ACGXKRRESA-N
MW271.32 g/mol
LogP1.62
Rot. Bonds3

About (2S)-N-[1-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[1-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 67162995) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2S)-N-[1-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID67162995
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(2S)-N-[1-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCC(NC(=O)[C@@H]1CCC(=O)N1)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H17N3O2/c1-9(16-15(20)12-6-7-14(19)18-12)13-8-10-4-2-3-5-11(10)17-13/h2-5,8-9,12,17H,6-7H2,1H3,(H,16,20)(H,18,19)/t9?,12-/m0/s1
InChIKeyBJNLTMJUDJQSAC-ACGXKRRESA-N
XLogP1.62
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 110743906
(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 11105798
5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide
CID 110743910
(2R)-5-oxo-N-[(1R)-1-(4-propan-2-ylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 95335645
(2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 94875015
(2R)-2-[(5-oxopyrrolidine-2-carbonyl)amino]-2-phenylacetic acid
CID 61145312
(2R)-N-[(R)-cyclopropyl(phenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95283633
(2R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-5-oxopyrrolidine-2-carboxamide
CID 95281938
(2S)-N-(2-amino-1-naphthalen-2-ylethyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 120567464
(2S)-N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95905263
(2S)-N-(1-amino-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 101002831
3-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 24690464

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[1-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide (CID 67162995) is (2S)-N-[1-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[1-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide is CC(NC(=O)[C@@H]1CCC(=O)N1)c1cc2ccccc2[nH]1.
What is the InChIKey of (2S)-N-[1-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is BJNLTMJUDJQSAC-ACGXKRRESA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9(16-15(20)12-6-7-14(19)18-12)13-8-10-4-2-3-5-11(10)17-13/h2-5,8-9,12,17H,6-7H2,1H3,(H,16,20)(H,18,19)/t9?,12-/m0/s1.
What are the key properties of (2S)-N-[1-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[1-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 67162995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).