2-amino-2-(aminomethyl)-4-methylpentanoic acid

C7H16N2O2 — CID 11019164

IUPAC2-amino-2-(aminomethyl)-4-methylpentanoic acid
SMILESCC(C)CC(N)(CN)C(=O)O
InChIInChI=1S/C7H16N2O2/c1-5(2)3-7(9,4-8)6(10)11/h5H,3-4,8-9H2,1-2H3,(H,10,11)
InChIKeyOVKIKTHULMQRQL-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.23
Rot. Bonds4

About 2-amino-2-(aminomethyl)-4-methylpentanoic acid

2-amino-2-(aminomethyl)-4-methylpentanoic acid (PubChem CID 11019164) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-amino-2-(aminomethyl)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-amino-2-(aminomethyl)-4-methylpentanoic acid
PubChem CID11019164
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name2-amino-2-(aminomethyl)-4-methylpentanoic acid
SMILESCC(C)CC(N)(CN)C(=O)O
InChIInChI=1S/C7H16N2O2/c1-5(2)3-7(9,4-8)6(10)11/h5H,3-4,8-9H2,1-2H3,(H,10,11)
InChIKeyOVKIKTHULMQRQL-UHFFFAOYSA-N
XLogP-0.23
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-(aminomethyl)-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

Related Compounds

(2S)-2-amino-2-ethyl-4-methylpentanoic acid
CID 45122151
2-(aminomethyl)-2,4-dimethylpentanoic acid
CID 106487145
2-amino-6-borono-2-(2-methylpropyl)hexanoic acid;hydrochloride
CID 87173180
(2S)-2-amino-2-(deuteriomethyl)-4-methylpentanoic acid;hydrochloride
CID 172557407
2-(aminomethyl)-2-(2,2-difluoroethyl)-4-methylpentanoic acid
CID 106488966
methyl 2-amino-4-methyl-2-(2-methylpropyl)pentanoate
CID 114868075
2-(aminomethyl)-3-methyl-2-(2-methylpropyl)pentanoic acid
CID 106489127
2-(aminomethyl)-3-ethyl-2-(2-methylpropyl)pentanoic acid
CID 106488970
2-(aminomethyl)-2-(2-hydroxyethyl)-4-methylpentanoic acid
CID 106488991
2-(aminomethyl)-2-(3-fluoropropyl)-4-methylpentanoic acid
CID 106489017
2-amino-3-methyl-2-(2-methylpropyl)pentanoic acid
CID 19431547
4-amino-4-ethyl-2,2,6-trimethylheptan-3-one
CID 167343881

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(aminomethyl)-4-methylpentanoic acid?
The IUPAC name of 2-amino-2-(aminomethyl)-4-methylpentanoic acid (CID 11019164) is 2-amino-2-(aminomethyl)-4-methylpentanoic acid.
What is the SMILES notation for 2-amino-2-(aminomethyl)-4-methylpentanoic acid?
The canonical SMILES for 2-amino-2-(aminomethyl)-4-methylpentanoic acid is CC(C)CC(N)(CN)C(=O)O.
What is the InChIKey of 2-amino-2-(aminomethyl)-4-methylpentanoic acid?
The InChIKey is OVKIKTHULMQRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-5(2)3-7(9,4-8)6(10)11/h5H,3-4,8-9H2,1-2H3,(H,10,11).
What are the key properties of 2-amino-2-(aminomethyl)-4-methylpentanoic acid?
2-amino-2-(aminomethyl)-4-methylpentanoic acid has a molecular weight of 160.22 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(aminomethyl)-4-methylpentanoic acid is sourced from PubChem (CID 11019164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).