(2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide

C13H16N2O3 — CID 11345650

IUPAC(2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide
SMILESCONC(=O)[C@@H]1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C13H16N2O3/c1-18-14-12(16)11-8-5-9-15(11)13(17)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyYQSVYBLWZJYWFF-NSHDSACASA-N
MW248.28 g/mol
LogP0.97
Rot. Bonds3

About (2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide

(2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide (PubChem CID 11345650) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide
PubChem CID11345650
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name(2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide
SMILESCONC(=O)[C@@H]1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C13H16N2O3/c1-18-14-12(16)11-8-5-9-15(11)13(17)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyYQSVYBLWZJYWFF-NSHDSACASA-N
XLogP0.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 119503511
N-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide
CID 119498752
methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate
CID 833629
N-(2-amino-2-phenylethyl)-1-benzoylpyrrolidine-2-carboxamide;hydrochloride
CID 119529228
N-(2-amino-2-ethylbutyl)-1-benzoylpyrrolidine-2-carboxamide
CID 119643109
(2S)-1-benzoylpyrrolidine-2-carboxylate
CID 6988238
(2R)-1-benzoyl-N-(2-ethylphenyl)pyrrolidine-2-carboxamide
CID 51605166
tert-butyl (2S)-1-benzoylpyrrolidine-2-carboxylate
CID 81004052
tert-butyl (2R)-1-benzoylpyrrolidine-2-carboxylate
CID 81002194
(2R)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605160
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
1-benzoyl-N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 46756263

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide (CID 11345650) is (2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide is CONC(=O)[C@@H]1CCCN1C(=O)c1ccccc1.
What is the InChIKey of (2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide?
The InChIKey is YQSVYBLWZJYWFF-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N2O3/c1-18-14-12(16)11-8-5-9-15(11)13(17)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3,(H,14,16)/t11-/m0/s1.
What are the key properties of (2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide?
(2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 11345650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).