(2S)-N-[(S)-(4-chlorophenyl)-cyclobutylmethyl]-5-oxopyrrolidine-2-carboxamide

C16H19ClN2O2 — CID 95342739

IUPAC(2S)-N-[(S)-(4-chlorophenyl)-cyclobutylmethyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)N1
InChIInChI=1S/C16H19ClN2O2/c17-12-6-4-11(5-7-12)15(10-2-1-3-10)19-16(21)13-8-9-14(20)18-13/h4-7,10,13,15H,1-3,8-9H2,(H,18,20)(H,19,21)/t13-,15-/m0/s1
InChIKeyTZYDXOXSDQQYSV-ZFWWWQNUSA-N
MW306.79 g/mol
LogP2.58
Rot. Bonds4

About (2S)-N-[(S)-(4-chlorophenyl)-cyclobutylmethyl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[(S)-(4-chlorophenyl)-cyclobutylmethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 95342739) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is (2S)-N-[(S)-(4-chlorophenyl)-cyclobutylmethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(S)-(4-chlorophenyl)-cyclobutylmethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID95342739
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name(2S)-N-[(S)-(4-chlorophenyl)-cyclobutylmethyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)N1
InChIInChI=1S/C16H19ClN2O2/c17-12-6-4-11(5-7-12)15(10-2-1-3-10)19-16(21)13-8-9-14(20)18-13/h4-7,10,13,15H,1-3,8-9H2,(H,18,20)(H,19,21)/t13-,15-/m0/s1
InChIKeyTZYDXOXSDQQYSV-ZFWWWQNUSA-N
XLogP2.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(R)-cyclopropyl(phenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95283633
(2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide
CID 119318612
2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride
CID 119318615
N-[(4-chlorophenyl)-cyclopropylmethyl]piperidine-4-carboxamide;hydrochloride
CID 119271202
5-[[(4-chlorophenyl)-cyclopropylmethyl]amino]piperidin-2-one
CID 63662235
(2S)-2-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]propanamide;hydrochloride
CID 119318563
(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 11105798
N-[2-(4-chlorophenyl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 110445231
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 51187239
N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119775158
(2R)-2-[(5-oxopyrrolidine-2-carbonyl)amino]-2-phenylacetic acid
CID 61145312
(2S)-N-[(1S)-1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-5-oxopyrrolidine-2-carboxamide
CID 129398822

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(S)-(4-chlorophenyl)-cyclobutylmethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(S)-(4-chlorophenyl)-cyclobutylmethyl]-5-oxopyrrolidine-2-carboxamide (CID 95342739) is (2S)-N-[(S)-(4-chlorophenyl)-cyclobutylmethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(S)-(4-chlorophenyl)-cyclobutylmethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(S)-(4-chlorophenyl)-cyclobutylmethyl]-5-oxopyrrolidine-2-carboxamide is O=C1CC[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)N1.
What is the InChIKey of (2S)-N-[(S)-(4-chlorophenyl)-cyclobutylmethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is TZYDXOXSDQQYSV-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c17-12-6-4-11(5-7-12)15(10-2-1-3-10)19-16(21)13-8-9-14(20)18-13/h4-7,10,13,15H,1-3,8-9H2,(H,18,20)(H,19,21)/t13-,15-/m0/s1.
What are the key properties of (2S)-N-[(S)-(4-chlorophenyl)-cyclobutylmethyl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[(S)-(4-chlorophenyl)-cyclobutylmethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 306.79 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(S)-(4-chlorophenyl)-cyclobutylmethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 95342739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).