(3R)-4-amino-3-methylbutanoic acid;hydrochloride

C5H12ClNO2 — CID 87721123

IUPAC(3R)-4-amino-3-methylbutanoic acid;hydrochloride
SMILESC[C@@H](CN)CC(=O)O.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-4(3-6)2-5(7)8;/h4H,2-3,6H2,1H3,(H,7,8);1H/t4-;/m1./s1
InChIKeySKNMCRZGRMXQAW-PGMHMLKASA-N
MW153.61 g/mol
LogP0.48
Rot. Bonds3

About (3R)-4-amino-3-methylbutanoic acid;hydrochloride

(3R)-4-amino-3-methylbutanoic acid;hydrochloride (PubChem CID 87721123) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is (3R)-4-amino-3-methylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name(3R)-4-amino-3-methylbutanoic acid;hydrochloride
PubChem CID87721123
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Name(3R)-4-amino-3-methylbutanoic acid;hydrochloride
SMILESC[C@@H](CN)CC(=O)O.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-4(3-6)2-5(7)8;/h4H,2-3,6H2,1H3,(H,7,8);1H/t4-;/m1./s1
InChIKeySKNMCRZGRMXQAW-PGMHMLKASA-N
XLogP0.48
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-methylbutanoic acid;2-methylpropane
CID 143811203
10-amino-3-methyldecanoic acid
CID 2832731
strontium;hydride;3-methylpentanedioic acid
CID 173490798
(3R)-5-amino-3-methyl-5-oxopentanoic acid
CID 55285544
(3S)-3-aminobutanoic acid;hydrochloride
CID 2761505
3-methylhexanedioic acid;dihydrobromide
CID 172737269
(3S)-4-amino-3-fluorobutanoic acid;hydrochloride
CID 155906053
hydrazine;3-methylbutanoic acid
CID 175217584
3-methyl-6-oxohexanoic acid
CID 73196600
3-(aminomethyl)-5-methylhexanoic acid
CID 4715169
3-methyloctanoic acid
CID 5312327
5-hydroxy-3-methylheptanoic acid
CID 143025483

Frequently Asked Questions

What is the IUPAC name of (3R)-4-amino-3-methylbutanoic acid;hydrochloride?
The IUPAC name of (3R)-4-amino-3-methylbutanoic acid;hydrochloride (CID 87721123) is (3R)-4-amino-3-methylbutanoic acid;hydrochloride.
What is the SMILES notation for (3R)-4-amino-3-methylbutanoic acid;hydrochloride?
The canonical SMILES for (3R)-4-amino-3-methylbutanoic acid;hydrochloride is C[C@@H](CN)CC(=O)O.Cl.
What is the InChIKey of (3R)-4-amino-3-methylbutanoic acid;hydrochloride?
The InChIKey is SKNMCRZGRMXQAW-PGMHMLKASA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c1-4(3-6)2-5(7)8;/h4H,2-3,6H2,1H3,(H,7,8);1H/t4-;/m1./s1.
What are the key properties of (3R)-4-amino-3-methylbutanoic acid;hydrochloride?
(3R)-4-amino-3-methylbutanoic acid;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-amino-3-methylbutanoic acid;hydrochloride is sourced from PubChem (CID 87721123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).