(2S)-1-benzoyl-4-oxopiperidine-2-carboxylic acid

C13H13NO4 — CID 14314235

IUPAC(2S)-1-benzoyl-4-oxopiperidine-2-carboxylic acid
SMILESO=C1CCN(C(=O)c2ccccc2)[C@H](C(=O)O)C1
InChIInChI=1S/C13H13NO4/c15-10-6-7-14(11(8-10)13(17)18)12(16)9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,17,18)/t11-/m0/s1
InChIKeyATYKKVDCPLYRDA-NSHDSACASA-N
MW247.25 g/mol
LogP0.94
Rot. Bonds2

About (2S)-1-benzoyl-4-oxopiperidine-2-carboxylic acid

(2S)-1-benzoyl-4-oxopiperidine-2-carboxylic acid (PubChem CID 14314235) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is (2S)-1-benzoyl-4-oxopiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-benzoyl-4-oxopiperidine-2-carboxylic acid
PubChem CID14314235
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name(2S)-1-benzoyl-4-oxopiperidine-2-carboxylic acid
SMILESO=C1CCN(C(=O)c2ccccc2)[C@H](C(=O)O)C1
InChIInChI=1S/C13H13NO4/c15-10-6-7-14(11(8-10)13(17)18)12(16)9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,17,18)/t11-/m0/s1
InChIKeyATYKKVDCPLYRDA-NSHDSACASA-N
XLogP0.94
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-benzoyl-4-oxopiperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromobenzoyl)-4-oxopiperidine-2-carboxylic acid
CID 84606603
1-benzoyl-2-tert-butylpiperidin-4-one
CID 131871850
(2R)-1-benzoyl-3-sulfanylidenepyrrolidine-2-carboxylic acid
CID 22868577
1-benzoyl-2-phenylpyrrolidin-3-one
CID 571274
(2S)-1-[4-(2-methylphenyl)benzoyl]-4-oxopyrrolidine-2-carboxylic acid
CID 69457890
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
1-benzoyl-5-oxopiperazine-2-carboxylic acid
CID 107432787
4-(benzenesulfonyl)-1-benzoylpiperazine-2-carboxylic acid
CID 44783605
(4aS,8aR)-1-benzoyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 754278
(2S)-1-benzoyl-3-methyl-2-phenyl-1,3-diazinan-4-one
CID 101008763
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
(2S)-1-benzoylpyrrolidine-2-carboxylate
CID 6988238

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzoyl-4-oxopiperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-benzoyl-4-oxopiperidine-2-carboxylic acid (CID 14314235) is (2S)-1-benzoyl-4-oxopiperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-benzoyl-4-oxopiperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-benzoyl-4-oxopiperidine-2-carboxylic acid is O=C1CCN(C(=O)c2ccccc2)[C@H](C(=O)O)C1.
What is the InChIKey of (2S)-1-benzoyl-4-oxopiperidine-2-carboxylic acid?
The InChIKey is ATYKKVDCPLYRDA-NSHDSACASA-N. The full InChI is InChI=1S/C13H13NO4/c15-10-6-7-14(11(8-10)13(17)18)12(16)9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-1-benzoyl-4-oxopiperidine-2-carboxylic acid?
(2S)-1-benzoyl-4-oxopiperidine-2-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzoyl-4-oxopiperidine-2-carboxylic acid is sourced from PubChem (CID 14314235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).