4-amino-3,3-dimethylbutanoic acid;hydrochloride

C6H14ClNO2 — CID 14435435

IUPAC4-amino-3,3-dimethylbutanoic acid;hydrochloride
SMILESCC(C)(CN)CC(=O)O.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-6(2,4-7)3-5(8)9;/h3-4,7H2,1-2H3,(H,8,9);1H
InChIKeyBPUHHUKKURJDMN-UHFFFAOYSA-N
MW167.64 g/mol
LogP0.87
Rot. Bonds3

About 4-amino-3,3-dimethylbutanoic acid;hydrochloride

4-amino-3,3-dimethylbutanoic acid;hydrochloride (PubChem CID 14435435) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is 4-amino-3,3-dimethylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name4-amino-3,3-dimethylbutanoic acid;hydrochloride
PubChem CID14435435
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name4-amino-3,3-dimethylbutanoic acid;hydrochloride
SMILESCC(C)(CN)CC(=O)O.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-6(2,4-7)3-5(8)9;/h3-4,7H2,1-2H3,(H,8,9);1H
InChIKeyBPUHHUKKURJDMN-UHFFFAOYSA-N
XLogP0.87
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

gamma-Aminobutyric acid hydrochloride
CID 210329
4-Amino-3-methylbutanoic acid
CID 3539719
4-Amino-2-methylbutanoic acid
CID 3759025
4-Amino-3,3-dimethylbutanoic acid
CID 910834
Butanoic acid, 4-amino-2-methyl-, (2S)-
CID 928193
(R)-4-amino-2-methylbutanoic acid
CID 928194
Butanoic acid, 4-amino-3-methyl-, (R)-
CID 6604938
(3S)-4-amino-3-methylbutanoic acid
CID 44313226
4-Amino-3-methylbutanoic acid hydrochloride
CID 13633386
4-Amino-2-methylbutanoic acid hydrochloride
CID 13633387
4-Amino-2,2-dimethylbutanoic acid hydrochloride
CID 42614145
4-Amino-2-aminomethyl-2-methyl-butyric acid
CID 10749321

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-dimethylbutanoic acid;hydrochloride?
The IUPAC name of 4-amino-3,3-dimethylbutanoic acid;hydrochloride (CID 14435435) is 4-amino-3,3-dimethylbutanoic acid;hydrochloride.
What is the SMILES notation for 4-amino-3,3-dimethylbutanoic acid;hydrochloride?
The canonical SMILES for 4-amino-3,3-dimethylbutanoic acid;hydrochloride is CC(C)(CN)CC(=O)O.Cl.
What is the InChIKey of 4-amino-3,3-dimethylbutanoic acid;hydrochloride?
The InChIKey is BPUHHUKKURJDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-6(2,4-7)3-5(8)9;/h3-4,7H2,1-2H3,(H,8,9);1H.
What are the key properties of 4-amino-3,3-dimethylbutanoic acid;hydrochloride?
4-amino-3,3-dimethylbutanoic acid;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3-dimethylbutanoic acid;hydrochloride is sourced from PubChem (CID 14435435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).