(2S)-2-amino-2-cyclobutyl-3-methylbutanoic acid

C9H17NO2 — CID 66778692

IUPAC(2S)-2-amino-2-cyclobutyl-3-methylbutanoic acid
SMILESCC(C)[C@@](N)(C(=O)O)C1CCC1
InChIInChI=1S/C9H17NO2/c1-6(2)9(10,8(11)12)7-4-3-5-7/h6-7H,3-5,10H2,1-2H3,(H,11,12)/t9-/m0/s1
InChIKeyQNIGJRKKXKPWJH-VIFPVBQESA-N
MW171.24 g/mol
LogP1.22
Rot. Bonds3

About (2S)-2-amino-2-cyclobutyl-3-methylbutanoic acid

(2S)-2-amino-2-cyclobutyl-3-methylbutanoic acid (PubChem CID 66778692) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclobutyl-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclobutyl-3-methylbutanoic acid
PubChem CID66778692
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2S)-2-amino-2-cyclobutyl-3-methylbutanoic acid
SMILESCC(C)[C@@](N)(C(=O)O)C1CCC1
InChIInChI=1S/C9H17NO2/c1-6(2)9(10,8(11)12)7-4-3-5-7/h6-7H,3-5,10H2,1-2H3,(H,11,12)/t9-/m0/s1
InChIKeyQNIGJRKKXKPWJH-VIFPVBQESA-N
XLogP1.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-2-cyclobutyl-3-methylbutanoic 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-amino-2-cyclobutyl-3-methylbutanoic acid?
The IUPAC name of (2S)-2-amino-2-cyclobutyl-3-methylbutanoic acid (CID 66778692) is (2S)-2-amino-2-cyclobutyl-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-amino-2-cyclobutyl-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-amino-2-cyclobutyl-3-methylbutanoic acid is CC(C)[C@@](N)(C(=O)O)C1CCC1.
What is the InChIKey of (2S)-2-amino-2-cyclobutyl-3-methylbutanoic acid?
The InChIKey is QNIGJRKKXKPWJH-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)9(10,8(11)12)7-4-3-5-7/h6-7H,3-5,10H2,1-2H3,(H,11,12)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-2-cyclobutyl-3-methylbutanoic acid?
(2S)-2-amino-2-cyclobutyl-3-methylbutanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cyclobutyl-3-methylbutanoic acid is sourced from PubChem (CID 66778692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).