3-amino-3,4-dimethylpentanoic acid

C7H15NO2 — CID 53414110

IUPAC3-amino-3,4-dimethylpentanoic acid
SMILESCC(C)C(C)(N)CC(=O)O
InChIInChI=1S/C7H15NO2/c1-5(2)7(3,8)4-6(9)10/h5H,4,8H2,1-3H3,(H,9,10)
InChIKeyOBZOEKDZIOOVJT-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.83
Rot. Bonds3

About 3-amino-3,4-dimethylpentanoic acid

3-amino-3,4-dimethylpentanoic acid (PubChem CID 53414110) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-amino-3,4-dimethylpentanoic acid.

Molecular Properties

Compound Name3-amino-3,4-dimethylpentanoic acid
PubChem CID53414110
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name3-amino-3,4-dimethylpentanoic acid
SMILESCC(C)C(C)(N)CC(=O)O
InChIInChI=1S/C7H15NO2/c1-5(2)7(3,8)4-6(9)10/h5H,4,8H2,1-3H3,(H,9,10)
InChIKeyOBZOEKDZIOOVJT-UHFFFAOYSA-N
XLogP0.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-3,4-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 3-amino-3,4-dimethylpentanoic acid?
The IUPAC name of 3-amino-3,4-dimethylpentanoic acid (CID 53414110) is 3-amino-3,4-dimethylpentanoic acid.
What is the SMILES notation for 3-amino-3,4-dimethylpentanoic acid?
The canonical SMILES for 3-amino-3,4-dimethylpentanoic acid is CC(C)C(C)(N)CC(=O)O.
What is the InChIKey of 3-amino-3,4-dimethylpentanoic acid?
The InChIKey is OBZOEKDZIOOVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5(2)7(3,8)4-6(9)10/h5H,4,8H2,1-3H3,(H,9,10).
What are the key properties of 3-amino-3,4-dimethylpentanoic acid?
3-amino-3,4-dimethylpentanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3,4-dimethylpentanoic acid is sourced from PubChem (CID 53414110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).