(2S,4S)-5-oxo-4-phenylpyrrolidine-2-carboxylic acid

C11H11NO3 — CID 96839975

IUPAC(2S,4S)-5-oxo-4-phenylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](c2ccccc2)C(=O)N1
InChIInChI=1S/C11H11NO3/c13-10-8(6-9(12-10)11(14)15)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,12,13)(H,14,15)/t8-,9-/m0/s1
InChIKeyKVMQQNKPELYZRH-IUCAKERBSA-N
MW205.21 g/mol
LogP0.74
Rot. Bonds2

About (2S,4S)-5-oxo-4-phenylpyrrolidine-2-carboxylic acid

(2S,4S)-5-oxo-4-phenylpyrrolidine-2-carboxylic acid (PubChem CID 96839975) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (2S,4S)-5-oxo-4-phenylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-5-oxo-4-phenylpyrrolidine-2-carboxylic acid
PubChem CID96839975
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(2S,4S)-5-oxo-4-phenylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](c2ccccc2)C(=O)N1
InChIInChI=1S/C11H11NO3/c13-10-8(6-9(12-10)11(14)15)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,12,13)(H,14,15)/t8-,9-/m0/s1
InChIKeyKVMQQNKPELYZRH-IUCAKERBSA-N
XLogP0.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4S)-5-oxo-4-phenylpyrrolidine-2-carboxylic acid
CID 96839973
4-benzyl-5-oxopyrrolidine-2-carboxylic acid
CID 14504092
(2S,4S)-4-(dibenzylamino)-5-oxopyrrolidine-2-carboxylic acid
CID 23631625
3-phenyl-5-(4-phenylpiperazin-1-yl)pyrrolidin-2-one
CID 3021875
4-cyclopropyl-5-oxopyrrolidine-2-carboxylic acid
CID 115013532
(2S,5R)-5-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 70544231
(2R,4S)-4-phenylpyrrolidine-2-carboxylic acid
CID 56845333
(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083
(6R)-2-oxo-1,3-diazinane-4,6-dicarboxylic acid
CID 70376519
2-oxo-6-phenylpiperidine-3-carboxylic acid
CID 71651347
5-oxo-4-(pyridin-1-ium-1-ylmethyl)pyrrolidine-2-carboxylic acid
CID 89089315
4-oxo-5-phenylpiperidine-3-carboxylic acid
CID 77158700

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-5-oxo-4-phenylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-5-oxo-4-phenylpyrrolidine-2-carboxylic acid (CID 96839975) is (2S,4S)-5-oxo-4-phenylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-5-oxo-4-phenylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-5-oxo-4-phenylpyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@@H](c2ccccc2)C(=O)N1.
What is the InChIKey of (2S,4S)-5-oxo-4-phenylpyrrolidine-2-carboxylic acid?
The InChIKey is KVMQQNKPELYZRH-IUCAKERBSA-N. The full InChI is InChI=1S/C11H11NO3/c13-10-8(6-9(12-10)11(14)15)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,12,13)(H,14,15)/t8-,9-/m0/s1.
What are the key properties of (2S,4S)-5-oxo-4-phenylpyrrolidine-2-carboxylic acid?
(2S,4S)-5-oxo-4-phenylpyrrolidine-2-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-5-oxo-4-phenylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 96839975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).