2-[(2E)-3-(carboxymethyl)-2-ethylidene-3-hydroxy-5-oxopyrrolidin-1-yl]-3-phenylpropanoic acid

C17H19NO6 — CID 163920769

IUPAC2-[(2E)-3-(carboxymethyl)-2-ethylidene-3-hydroxy-5-oxopyrrolidin-1-yl]-3-phenylpropanoic acid
SMILESC/C=C1/N(C(Cc2ccccc2)C(=O)O)C(=O)CC1(O)CC(=O)O
InChIInChI=1S/C17H19NO6/c1-2-13-17(24,10-15(20)21)9-14(19)18(13)12(16(22)23)8-11-6-4-3-5-7-11/h2-7,12,24H,8-10H2,1H3,(H,20,21)(H,22,23)/b13-2+
InChIKeyRAFPUQIIPYMLRT-XNJYKOPJSA-N
MW333.34 g/mol
LogP1.02
Rot. Bonds6

About 2-[(2E)-3-(carboxymethyl)-2-ethylidene-3-hydroxy-5-oxopyrrolidin-1-yl]-3-phenylpropanoic acid

2-[(2E)-3-(carboxymethyl)-2-ethylidene-3-hydroxy-5-oxopyrrolidin-1-yl]-3-phenylpropanoic acid (PubChem CID 163920769) has the molecular formula C17H19NO6 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-[(2E)-3-(carboxymethyl)-2-ethylidene-3-hydroxy-5-oxopyrrolidin-1-yl]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(2E)-3-(carboxymethyl)-2-ethylidene-3-hydroxy-5-oxopyrrolidin-1-yl]-3-phenylpropanoic acid
PubChem CID163920769
Molecular FormulaC17H19NO6
Molecular Weight333.34 g/mol
Exact Mass333.12
IUPAC Name2-[(2E)-3-(carboxymethyl)-2-ethylidene-3-hydroxy-5-oxopyrrolidin-1-yl]-3-phenylpropanoic acid
SMILESC/C=C1/N(C(Cc2ccccc2)C(=O)O)C(=O)CC1(O)CC(=O)O
InChIInChI=1S/C17H19NO6/c1-2-13-17(24,10-15(20)21)9-14(19)18(13)12(16(22)23)8-11-6-4-3-5-7-11/h2-7,12,24H,8-10H2,1H3,(H,20,21)(H,22,23)/b13-2+
InChIKeyRAFPUQIIPYMLRT-XNJYKOPJSA-N
XLogP1.02
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2E)-3-(carboxymethyl)-2-ethylidene-3-hydroxy-5-oxopyrrolidin-1-yl]-3-phenylpropanoic 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

2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-phenylpropanoic acid
CID 54773487
2-(2,7-dioxoazepan-1-yl)-3-phenylpropanoic acid
CID 43446699
2-(3,5-dioxothiomorpholin-4-yl)-3-phenylpropanoic acid
CID 104570352
(2S)-2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-3-phenylpropanoic acid
CID 67791576
prop-2-enyl (2S)-2-(2,5-dioxopyrrolidin-1-yl)-3-phenylpropanoate
CID 102417431
(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-3-phenylpropanoic acid
CID 69108687
3-phenyl-2-(4,5,6,7-tetraiodo-1,3-dioxoisoindol-2-yl)propanoic acid
CID 12988107
2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid
CID 10105471
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanoic acid
CID 154722861
(2S)-3-phenyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)propanoic acid
CID 1179739
2-[(4S,7R)-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]-3-phenylpropanoic acid
CID 59351949
2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-3-phenylpropanoic acid
CID 79875090

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-3-(carboxymethyl)-2-ethylidene-3-hydroxy-5-oxopyrrolidin-1-yl]-3-phenylpropanoic acid?
The IUPAC name of 2-[(2E)-3-(carboxymethyl)-2-ethylidene-3-hydroxy-5-oxopyrrolidin-1-yl]-3-phenylpropanoic acid (CID 163920769) is 2-[(2E)-3-(carboxymethyl)-2-ethylidene-3-hydroxy-5-oxopyrrolidin-1-yl]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[(2E)-3-(carboxymethyl)-2-ethylidene-3-hydroxy-5-oxopyrrolidin-1-yl]-3-phenylpropanoic acid?
The canonical SMILES for 2-[(2E)-3-(carboxymethyl)-2-ethylidene-3-hydroxy-5-oxopyrrolidin-1-yl]-3-phenylpropanoic acid is C/C=C1/N(C(Cc2ccccc2)C(=O)O)C(=O)CC1(O)CC(=O)O.
What is the InChIKey of 2-[(2E)-3-(carboxymethyl)-2-ethylidene-3-hydroxy-5-oxopyrrolidin-1-yl]-3-phenylpropanoic acid?
The InChIKey is RAFPUQIIPYMLRT-XNJYKOPJSA-N. The full InChI is InChI=1S/C17H19NO6/c1-2-13-17(24,10-15(20)21)9-14(19)18(13)12(16(22)23)8-11-6-4-3-5-7-11/h2-7,12,24H,8-10H2,1H3,(H,20,21)(H,22,23)/b13-2+.
What are the key properties of 2-[(2E)-3-(carboxymethyl)-2-ethylidene-3-hydroxy-5-oxopyrrolidin-1-yl]-3-phenylpropanoic acid?
2-[(2E)-3-(carboxymethyl)-2-ethylidene-3-hydroxy-5-oxopyrrolidin-1-yl]-3-phenylpropanoic acid has a molecular weight of 333.34 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-3-(carboxymethyl)-2-ethylidene-3-hydroxy-5-oxopyrrolidin-1-yl]-3-phenylpropanoic acid is sourced from PubChem (CID 163920769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).