(2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid

C13H15NO4 — CID 103337920

IUPAC(2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid
SMILESC[C@@H](Oc1cccc(N2CCCC2=O)c1)C(=O)O
InChIInChI=1S/C13H15NO4/c1-9(13(16)17)18-11-5-2-4-10(8-11)14-7-3-6-12(14)15/h2,4-5,8-9H,3,6-7H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyDRMWFTIIQDUSBC-SECBINFHSA-N
MW249.27 g/mol
LogP1.67
Rot. Bonds4

About (2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid

(2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid (PubChem CID 103337920) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is (2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid
PubChem CID103337920
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name(2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid
SMILESC[C@@H](Oc1cccc(N2CCCC2=O)c1)C(=O)O
InChIInChI=1S/C13H15NO4/c1-9(13(16)17)18-11-5-2-4-10(8-11)14-7-3-6-12(14)15/h2,4-5,8-9H,3,6-7H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyDRMWFTIIQDUSBC-SECBINFHSA-N
XLogP1.67
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic 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-(3-oxopentan-2-yloxy)phenyl]pyrrolidin-2-one
CID 64865890
1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one
CID 142760205
2-(3-fluorophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 86926058
4-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
CID 43665961
(2R)-N-(4-morpholin-4-ylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide
CID 25408427
N'-[2-(3-bromophenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 46656819
(2S)-2-(3-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 92681474
2-(3-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 132761519
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
methyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate
CID 79620550
(2S)-2-(3-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 36569893
N-(2,2-dimethyl-1-phenylpropyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78864739

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid?
The IUPAC name of (2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid (CID 103337920) is (2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid?
The canonical SMILES for (2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid is C[C@@H](Oc1cccc(N2CCCC2=O)c1)C(=O)O.
What is the InChIKey of (2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid?
The InChIKey is DRMWFTIIQDUSBC-SECBINFHSA-N. The full InChI is InChI=1S/C13H15NO4/c1-9(13(16)17)18-11-5-2-4-10(8-11)14-7-3-6-12(14)15/h2,4-5,8-9H,3,6-7H2,1H3,(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid?
(2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid has a molecular weight of 249.27 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid is sourced from PubChem (CID 103337920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).