(2S)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoic acid

C10H13F2NO3 — CID 59650078

IUPAC(2S)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoic acid
SMILESCC[C@@H](C(=O)O)N1C[C@H](C=C(F)F)CC1=O
InChIInChI=1S/C10H13F2NO3/c1-2-7(10(15)16)13-5-6(3-8(11)12)4-9(13)14/h3,6-7H,2,4-5H2,1H3,(H,15,16)/t6-,7+/m1/s1
InChIKeyLXXCYDIGYCTUSV-RQJHMYQMSA-N
MW233.21 g/mol
LogP1.48
Rot. Bonds4

About (2S)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoic acid

(2S)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoic acid (PubChem CID 59650078) has the molecular formula C10H13F2NO3 and a molecular weight of 233.21 g/mol. Its IUPAC name is (2S)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoic acid
PubChem CID59650078
Molecular FormulaC10H13F2NO3
Molecular Weight233.21 g/mol
Exact Mass233.09
IUPAC Name(2S)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoic acid
SMILESCC[C@@H](C(=O)O)N1C[C@H](C=C(F)F)CC1=O
InChIInChI=1S/C10H13F2NO3/c1-2-7(10(15)16)13-5-6(3-8(11)12)4-9(13)14/h3,6-7H,2,4-5H2,1H3,(H,15,16)/t6-,7+/m1/s1
InChIKeyLXXCYDIGYCTUSV-RQJHMYQMSA-N
XLogP1.48
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoic acid?
The IUPAC name of (2S)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoic acid (CID 59650078) is (2S)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoic acid.
What is the SMILES notation for (2S)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoic acid?
The canonical SMILES for (2S)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoic acid is CC[C@@H](C(=O)O)N1C[C@H](C=C(F)F)CC1=O.
What is the InChIKey of (2S)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoic acid?
The InChIKey is LXXCYDIGYCTUSV-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H13F2NO3/c1-2-7(10(15)16)13-5-6(3-8(11)12)4-9(13)14/h3,6-7H,2,4-5H2,1H3,(H,15,16)/t6-,7+/m1/s1.
What are the key properties of (2S)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoic acid?
(2S)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoic acid has a molecular weight of 233.21 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoic acid is sourced from PubChem (CID 59650078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).