(2S)-4-oxo-1-(phenylcarbamoyl)azetidine-2-carboxylic acid

C11H10N2O4 — CID 11951050

IUPAC(2S)-4-oxo-1-(phenylcarbamoyl)azetidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(=O)N1C(=O)Nc1ccccc1
InChIInChI=1S/C11H10N2O4/c14-9-6-8(10(15)16)13(9)11(17)12-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,17)(H,15,16)/t8-/m0/s1
InChIKeyLCAHRRPMTXQIAU-QMMMGPOBSA-N
MW234.21 g/mol
LogP0.90
Rot. Bonds2

About (2S)-4-oxo-1-(phenylcarbamoyl)azetidine-2-carboxylic acid

(2S)-4-oxo-1-(phenylcarbamoyl)azetidine-2-carboxylic acid (PubChem CID 11951050) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is (2S)-4-oxo-1-(phenylcarbamoyl)azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-oxo-1-(phenylcarbamoyl)azetidine-2-carboxylic acid
PubChem CID11951050
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name(2S)-4-oxo-1-(phenylcarbamoyl)azetidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(=O)N1C(=O)Nc1ccccc1
InChIInChI=1S/C11H10N2O4/c14-9-6-8(10(15)16)13(9)11(17)12-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,17)(H,15,16)/t8-/m0/s1
InChIKeyLCAHRRPMTXQIAU-QMMMGPOBSA-N
XLogP0.90
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-1-(phenylcarbamoyl)azetidine-2-carboxylic acid
CID 68602588
(2S)-4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61143269
5-hydroxy-3-methyl-2-oxo-N-phenylimidazolidine-1-carboxamide
CID 13473446
1-(1-isoquinolin-4-ylethylcarbamoyl)-4-oxoazetidine-2-carboxylic acid
CID 123898378
1-(1H-pyrazol-4-ylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61210037
3-oxo-N-phenylpyrazolidine-1-carboxamide
CID 1482220
(2S,3R)-N,2,3-triphenylaziridine-1-carboxamide
CID 131874554
N-phenyl-3-oxa-6-azabicyclo[3.1.0]hexane-6-carboxamide
CID 121224830
3-oxo-N,2-diphenylpiperidine-1-carboxamide
CID 91530761
4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 16781816
(2S)-4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 30069315
2-oxo-N-phenyl-3H-azepine-1-carboxamide
CID 142847523

Frequently Asked Questions

What is the IUPAC name of (2S)-4-oxo-1-(phenylcarbamoyl)azetidine-2-carboxylic acid?
The IUPAC name of (2S)-4-oxo-1-(phenylcarbamoyl)azetidine-2-carboxylic acid (CID 11951050) is (2S)-4-oxo-1-(phenylcarbamoyl)azetidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-oxo-1-(phenylcarbamoyl)azetidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-oxo-1-(phenylcarbamoyl)azetidine-2-carboxylic acid is O=C(O)[C@@H]1CC(=O)N1C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-4-oxo-1-(phenylcarbamoyl)azetidine-2-carboxylic acid?
The InChIKey is LCAHRRPMTXQIAU-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H10N2O4/c14-9-6-8(10(15)16)13(9)11(17)12-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,17)(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-4-oxo-1-(phenylcarbamoyl)azetidine-2-carboxylic acid?
(2S)-4-oxo-1-(phenylcarbamoyl)azetidine-2-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-oxo-1-(phenylcarbamoyl)azetidine-2-carboxylic acid is sourced from PubChem (CID 11951050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).