(2R)-2-[(3,3-difluorocyclobutanecarbonyl)amino]-4-methylpentanoic acid

C11H17F2NO3 — CID 119363162

IUPAC(2R)-2-[(3,3-difluorocyclobutanecarbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)C1CC(F)(F)C1)C(=O)O
InChIInChI=1S/C11H17F2NO3/c1-6(2)3-8(10(16)17)14-9(15)7-4-11(12,13)5-7/h6-8H,3-5H2,1-2H3,(H,14,15)(H,16,17)/t8-/m1/s1
InChIKeyLZBOHIDBMCLIHQ-MRVPVSSYSA-N
MW249.26 g/mol
LogP1.65
Rot. Bonds5

About (2R)-2-[(3,3-difluorocyclobutanecarbonyl)amino]-4-methylpentanoic acid

(2R)-2-[(3,3-difluorocyclobutanecarbonyl)amino]-4-methylpentanoic acid (PubChem CID 119363162) has the molecular formula C11H17F2NO3 and a molecular weight of 249.26 g/mol. Its IUPAC name is (2R)-2-[(3,3-difluorocyclobutanecarbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3,3-difluorocyclobutanecarbonyl)amino]-4-methylpentanoic acid
PubChem CID119363162
Molecular FormulaC11H17F2NO3
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC Name(2R)-2-[(3,3-difluorocyclobutanecarbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)C1CC(F)(F)C1)C(=O)O
InChIInChI=1S/C11H17F2NO3/c1-6(2)3-8(10(16)17)14-9(15)7-4-11(12,13)5-7/h6-8H,3-5H2,1-2H3,(H,14,15)(H,16,17)/t8-/m1/s1
InChIKeyLZBOHIDBMCLIHQ-MRVPVSSYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[(3,3-difluorocyclobutanecarbonyl)amino]-4-methylpentanoic 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 (2R)-2-[(3,3-difluorocyclobutanecarbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(3,3-difluorocyclobutanecarbonyl)amino]-4-methylpentanoic acid (CID 119363162) is (2R)-2-[(3,3-difluorocyclobutanecarbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(3,3-difluorocyclobutanecarbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(3,3-difluorocyclobutanecarbonyl)amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)C1CC(F)(F)C1)C(=O)O.
What is the InChIKey of (2R)-2-[(3,3-difluorocyclobutanecarbonyl)amino]-4-methylpentanoic acid?
The InChIKey is LZBOHIDBMCLIHQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17F2NO3/c1-6(2)3-8(10(16)17)14-9(15)7-4-11(12,13)5-7/h6-8H,3-5H2,1-2H3,(H,14,15)(H,16,17)/t8-/m1/s1.
What are the key properties of (2R)-2-[(3,3-difluorocyclobutanecarbonyl)amino]-4-methylpentanoic acid?
(2R)-2-[(3,3-difluorocyclobutanecarbonyl)amino]-4-methylpentanoic acid has a molecular weight of 249.26 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 (2R)-2-[(3,3-difluorocyclobutanecarbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 119363162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).