(3R)-5-amino-3-methylpentanoic acid;hydrochloride

C6H14ClNO2 — CID 155978020

IUPAC(3R)-5-amino-3-methylpentanoic acid;hydrochloride
SMILESC[C@H](CCN)CC(=O)O.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-5(2-3-7)4-6(8)9;/h5H,2-4,7H2,1H3,(H,8,9);1H/t5-;/m1./s1
InChIKeyNLFUNLWEGXYWAX-NUBCRITNSA-N
MW167.64 g/mol
LogP0.87
Rot. Bonds4

About (3R)-5-amino-3-methylpentanoic acid;hydrochloride

(3R)-5-amino-3-methylpentanoic acid;hydrochloride (PubChem CID 155978020) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is (3R)-5-amino-3-methylpentanoic acid;hydrochloride.

Molecular Properties

Compound Name(3R)-5-amino-3-methylpentanoic acid;hydrochloride
PubChem CID155978020
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name(3R)-5-amino-3-methylpentanoic acid;hydrochloride
SMILESC[C@H](CCN)CC(=O)O.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-5(2-3-7)4-6(8)9;/h5H,2-4,7H2,1H3,(H,8,9);1H/t5-;/m1./s1
InChIKeyNLFUNLWEGXYWAX-NUBCRITNSA-N
XLogP0.87
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-5-amino-3-methylpentanoic acid;hydrochloride 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 (3R)-5-amino-3-methylpentanoic acid;hydrochloride?
The IUPAC name of (3R)-5-amino-3-methylpentanoic acid;hydrochloride (CID 155978020) is (3R)-5-amino-3-methylpentanoic acid;hydrochloride.
What is the SMILES notation for (3R)-5-amino-3-methylpentanoic acid;hydrochloride?
The canonical SMILES for (3R)-5-amino-3-methylpentanoic acid;hydrochloride is C[C@H](CCN)CC(=O)O.Cl.
What is the InChIKey of (3R)-5-amino-3-methylpentanoic acid;hydrochloride?
The InChIKey is NLFUNLWEGXYWAX-NUBCRITNSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-5(2-3-7)4-6(8)9;/h5H,2-4,7H2,1H3,(H,8,9);1H/t5-;/m1./s1.
What are the key properties of (3R)-5-amino-3-methylpentanoic acid;hydrochloride?
(3R)-5-amino-3-methylpentanoic acid;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-amino-3-methylpentanoic acid;hydrochloride is sourced from PubChem (CID 155978020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).