(2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid

C13H14N2O4 — CID 168695895

IUPAC(2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid
SMILESNC(=O)C1CC(=O)N([C@@H](C(=O)O)c2ccccc2)C1
InChIInChI=1S/C13H14N2O4/c14-12(17)9-6-10(16)15(7-9)11(13(18)19)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H2,14,17)(H,18,19)/t9?,11-/m1/s1
InChIKeyBSAZLMQJUJHQGA-HCCKASOXSA-N
MW262.26 g/mol
LogP0.15
Rot. Bonds4

About (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid

(2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid (PubChem CID 168695895) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid
PubChem CID168695895
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name(2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid
SMILESNC(=O)C1CC(=O)N([C@@H](C(=O)O)c2ccccc2)C1
InChIInChI=1S/C13H14N2O4/c14-12(17)9-6-10(16)15(7-9)11(13(18)19)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H2,14,17)(H,18,19)/t9?,11-/m1/s1
InChIKeyBSAZLMQJUJHQGA-HCCKASOXSA-N
XLogP0.15
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(4-methylphenyl)acetic acid
CID 168695788
2-(3-bromophenyl)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168695805
2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-methylphenyl)acetic acid
CID 168695785
2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-fluorophenyl)acetic acid
CID 168695804
(2R)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid
CID 168692814
1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 168695593
1-[(4-bromophenyl)-carboxymethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690265
methyl (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(4-hydroxyphenyl)acetate
CID 168695756
(3S)-1-benzhydryl-5-oxopyrrolidine-3-carboxylic acid
CID 735290
(2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid
CID 168695935
1-(1-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 168695684
2-(2-oxoazetidin-1-yl)-2-phenylacetic acid
CID 156875681

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid?
The IUPAC name of (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid (CID 168695895) is (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid?
The canonical SMILES for (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid is NC(=O)C1CC(=O)N([C@@H](C(=O)O)c2ccccc2)C1.
What is the InChIKey of (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid?
The InChIKey is BSAZLMQJUJHQGA-HCCKASOXSA-N. The full InChI is InChI=1S/C13H14N2O4/c14-12(17)9-6-10(16)15(7-9)11(13(18)19)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H2,14,17)(H,18,19)/t9?,11-/m1/s1.
What are the key properties of (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid?
(2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid has a molecular weight of 262.26 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid is sourced from PubChem (CID 168695895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).