(2S)-3-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)propanoic acid

C13H15NO4 — CID 138550489

IUPAC(2S)-3-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)propanoic acid
SMILESO=C(O)[C@H](Cc1cccc(O)c1)N1CCCC1=O
InChIInChI=1S/C13H15NO4/c15-10-4-1-3-9(7-10)8-11(13(17)18)14-6-2-5-12(14)16/h1,3-4,7,11,15H,2,5-6,8H2,(H,17,18)/t11-/m0/s1
InChIKeySXDDTKUOWLKOTN-NSHDSACASA-N
MW249.27 g/mol
LogP1.01
Rot. Bonds4

About (2S)-3-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)propanoic acid

(2S)-3-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)propanoic acid (PubChem CID 138550489) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is (2S)-3-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-3-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)propanoic acid
PubChem CID138550489
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name(2S)-3-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)propanoic acid
SMILESO=C(O)[C@H](Cc1cccc(O)c1)N1CCCC1=O
InChIInChI=1S/C13H15NO4/c15-10-4-1-3-9(7-10)8-11(13(17)18)14-6-2-5-12(14)16/h1,3-4,7,11,15H,2,5-6,8H2,(H,17,18)/t11-/m0/s1
InChIKeySXDDTKUOWLKOTN-NSHDSACASA-N
XLogP1.01
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxopyrrolidin-1-yl)-3-(3-prop-2-enoxyphenyl)propanoic acid
CID 138550487
2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3-(3-hydroxyphenyl)propanoic acid
CID 168506754
2-(2,7-dioxoazepan-1-yl)-3-phenylpropanoic acid
CID 43446699
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one
CID 107861552
(2R)-2-[(3-hydroxyphenyl)methyl]-3-methylbutanoic acid
CID 90059046
3-[3-amino-2-(azetidin-1-yl)propyl]phenol
CID 84722321
benzyl (2S)-3-[3-[3-[(2S)-2-amino-3-oxo-3-(2,2,2-trifluoroethylamino)propyl]phenoxy]phenyl]-2-(2-oxopyrrolidin-1-yl)propanoate
CID 138550186
(2R)-2-(2-oxopyrrolidin-1-yl)butanoic acid;(1S)-1-phenylethanamine
CID 162152790
N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 97039368
3-(3-hydroxyphenyl)-2-phenylpropanoic acid
CID 75532125
3-(3-hydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 83956089
N-benzyl-2-(2-oxoazetidin-1-yl)-3-phenylpropanamide
CID 5278763

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)propanoic acid?
The IUPAC name of (2S)-3-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)propanoic acid (CID 138550489) is (2S)-3-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for (2S)-3-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)propanoic acid?
The canonical SMILES for (2S)-3-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)propanoic acid is O=C(O)[C@H](Cc1cccc(O)c1)N1CCCC1=O.
What is the InChIKey of (2S)-3-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)propanoic acid?
The InChIKey is SXDDTKUOWLKOTN-NSHDSACASA-N. The full InChI is InChI=1S/C13H15NO4/c15-10-4-1-3-9(7-10)8-11(13(17)18)14-6-2-5-12(14)16/h1,3-4,7,11,15H,2,5-6,8H2,(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-3-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)propanoic acid?
(2S)-3-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)propanoic acid has a molecular weight of 249.27 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 138550489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).