(2S)-N-benzoyl-2-methylpyrrolidine-2-carboxamide

C13H16N2O2 — CID 141351303

IUPAC(2S)-N-benzoyl-2-methylpyrrolidine-2-carboxamide
SMILESC[C@@]1(C(=O)NC(=O)c2ccccc2)CCCN1
InChIInChI=1S/C13H16N2O2/c1-13(8-5-9-14-13)12(17)15-11(16)10-6-3-2-4-7-10/h2-4,6-7,14H,5,8-9H2,1H3,(H,15,16,17)/t13-/m0/s1
InChIKeyHYSJSUVMXOOUDY-ZDUSSCGKSA-N
MW232.28 g/mol
LogP1.09
Rot. Bonds2

About (2S)-N-benzoyl-2-methylpyrrolidine-2-carboxamide

(2S)-N-benzoyl-2-methylpyrrolidine-2-carboxamide (PubChem CID 141351303) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2S)-N-benzoyl-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-benzoyl-2-methylpyrrolidine-2-carboxamide
PubChem CID141351303
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(2S)-N-benzoyl-2-methylpyrrolidine-2-carboxamide
SMILESC[C@@]1(C(=O)NC(=O)c2ccccc2)CCCN1
InChIInChI=1S/C13H16N2O2/c1-13(8-5-9-14-13)12(17)15-11(16)10-6-3-2-4-7-10/h2-4,6-7,14H,5,8-9H2,1H3,(H,15,16,17)/t13-/m0/s1
InChIKeyHYSJSUVMXOOUDY-ZDUSSCGKSA-N
XLogP1.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-benzamidopyrrolidine-2-carboxylic acid
CID 70468963
(2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide
CID 134400651
(3-chlorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580557
N-[(2-ethylphenyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 64680133
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyrrolidine-2-carboxamide
CID 107863123
(4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580446
N-(3-hydroxy-1-phenylpropyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride
CID 110012103
2-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-2-carboxamide
CID 132850278
2-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81379976
2-methyl-N-(2-methyl-1-phenylpropyl)piperidine-2-carboxamide
CID 104596225
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 103950434
(2-methylpyrrolidin-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 116580532

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzoyl-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-benzoyl-2-methylpyrrolidine-2-carboxamide (CID 141351303) is (2S)-N-benzoyl-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-benzoyl-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-benzoyl-2-methylpyrrolidine-2-carboxamide is C[C@@]1(C(=O)NC(=O)c2ccccc2)CCCN1.
What is the InChIKey of (2S)-N-benzoyl-2-methylpyrrolidine-2-carboxamide?
The InChIKey is HYSJSUVMXOOUDY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-13(8-5-9-14-13)12(17)15-11(16)10-6-3-2-4-7-10/h2-4,6-7,14H,5,8-9H2,1H3,(H,15,16,17)/t13-/m0/s1.
What are the key properties of (2S)-N-benzoyl-2-methylpyrrolidine-2-carboxamide?
(2S)-N-benzoyl-2-methylpyrrolidine-2-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzoyl-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 141351303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).