(3S)-2-(2,2-difluoropropanoylamino)-2,3-dimethylpentanoic acid

C10H17F2NO3 — CID 167170264

IUPAC(3S)-2-(2,2-difluoropropanoylamino)-2,3-dimethylpentanoic acid
SMILESCC[C@H](C)C(C)(NC(=O)C(C)(F)F)C(=O)O
InChIInChI=1S/C10H17F2NO3/c1-5-6(2)9(3,8(15)16)13-7(14)10(4,11)12/h6H,5H2,1-4H3,(H,13,14)(H,15,16)/t6-,9?/m0/s1
InChIKeyOPCGNERGDYTVNH-AADKRJSRSA-N
MW237.25 g/mol
LogP1.65
Rot. Bonds5

About (3S)-2-(2,2-difluoropropanoylamino)-2,3-dimethylpentanoic acid

(3S)-2-(2,2-difluoropropanoylamino)-2,3-dimethylpentanoic acid (PubChem CID 167170264) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is (3S)-2-(2,2-difluoropropanoylamino)-2,3-dimethylpentanoic acid.

Molecular Properties

Compound Name(3S)-2-(2,2-difluoropropanoylamino)-2,3-dimethylpentanoic acid
PubChem CID167170264
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Name(3S)-2-(2,2-difluoropropanoylamino)-2,3-dimethylpentanoic acid
SMILESCC[C@H](C)C(C)(NC(=O)C(C)(F)F)C(=O)O
InChIInChI=1S/C10H17F2NO3/c1-5-6(2)9(3,8(15)16)13-7(14)10(4,11)12/h6H,5H2,1-4H3,(H,13,14)(H,15,16)/t6-,9?/m0/s1
InChIKeyOPCGNERGDYTVNH-AADKRJSRSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-2-(2,2-difluoropropanoylamino)-2,3-dimethylpentanoic 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 (3S)-2-(2,2-difluoropropanoylamino)-2,3-dimethylpentanoic acid?
The IUPAC name of (3S)-2-(2,2-difluoropropanoylamino)-2,3-dimethylpentanoic acid (CID 167170264) is (3S)-2-(2,2-difluoropropanoylamino)-2,3-dimethylpentanoic acid.
What is the SMILES notation for (3S)-2-(2,2-difluoropropanoylamino)-2,3-dimethylpentanoic acid?
The canonical SMILES for (3S)-2-(2,2-difluoropropanoylamino)-2,3-dimethylpentanoic acid is CC[C@H](C)C(C)(NC(=O)C(C)(F)F)C(=O)O.
What is the InChIKey of (3S)-2-(2,2-difluoropropanoylamino)-2,3-dimethylpentanoic acid?
The InChIKey is OPCGNERGDYTVNH-AADKRJSRSA-N. The full InChI is InChI=1S/C10H17F2NO3/c1-5-6(2)9(3,8(15)16)13-7(14)10(4,11)12/h6H,5H2,1-4H3,(H,13,14)(H,15,16)/t6-,9?/m0/s1.
What are the key properties of (3S)-2-(2,2-difluoropropanoylamino)-2,3-dimethylpentanoic acid?
(3S)-2-(2,2-difluoropropanoylamino)-2,3-dimethylpentanoic acid has a molecular weight of 237.25 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-(2,2-difluoropropanoylamino)-2,3-dimethylpentanoic acid is sourced from PubChem (CID 167170264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).