3-(aminomethyl)-4,4-dimethylpentanoic acid

C8H17NO2 — CID 14463334

IUPAC3-(aminomethyl)-4,4-dimethylpentanoic acid
SMILESCC(C)(C)C(CN)CC(=O)O
InChIInChI=1S/C8H17NO2/c1-8(2,3)6(5-9)4-7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyMDSUUXKSWCTICT-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.08
Rot. Bonds3

About 3-(aminomethyl)-4,4-dimethylpentanoic acid

3-(aminomethyl)-4,4-dimethylpentanoic acid (PubChem CID 14463334) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-(aminomethyl)-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name3-(aminomethyl)-4,4-dimethylpentanoic acid
PubChem CID14463334
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-(aminomethyl)-4,4-dimethylpentanoic acid
SMILESCC(C)(C)C(CN)CC(=O)O
InChIInChI=1S/C8H17NO2/c1-8(2,3)6(5-9)4-7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyMDSUUXKSWCTICT-UHFFFAOYSA-N
XLogP1.08
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(aminomethyl)-4,4-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-(aminomethyl)-4,4-dimethylpentanoic acid?
The IUPAC name of 3-(aminomethyl)-4,4-dimethylpentanoic acid (CID 14463334) is 3-(aminomethyl)-4,4-dimethylpentanoic acid.
What is the SMILES notation for 3-(aminomethyl)-4,4-dimethylpentanoic acid?
The canonical SMILES for 3-(aminomethyl)-4,4-dimethylpentanoic acid is CC(C)(C)C(CN)CC(=O)O.
What is the InChIKey of 3-(aminomethyl)-4,4-dimethylpentanoic acid?
The InChIKey is MDSUUXKSWCTICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(2,3)6(5-9)4-7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11).
What are the key properties of 3-(aminomethyl)-4,4-dimethylpentanoic acid?
3-(aminomethyl)-4,4-dimethylpentanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4,4-dimethylpentanoic acid is sourced from PubChem (CID 14463334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).