2-(aminomethyl)butanoic acid;hydrochloride

C5H12ClNO2 — CID 50988199

IUPAC2-(aminomethyl)butanoic acid;hydrochloride
SMILESCCC(CN)C(=O)O.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-2-4(3-6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8);1H
InChIKeyXZLAGEBUTYNRAA-UHFFFAOYSA-N
MW153.61 g/mol
LogP0.48
Rot. Bonds3

About 2-(aminomethyl)butanoic acid;hydrochloride

2-(aminomethyl)butanoic acid;hydrochloride (PubChem CID 50988199) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is 2-(aminomethyl)butanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)butanoic acid;hydrochloride
PubChem CID50988199
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Name2-(aminomethyl)butanoic acid;hydrochloride
SMILESCCC(CN)C(=O)O.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-2-4(3-6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8);1H
InChIKeyXZLAGEBUTYNRAA-UHFFFAOYSA-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

Beta-Aminoisobutyric Acid
CID 64956
L-beta-Aminoisobutyric acid
CID 439434
(R)-3-amino-2-methylpropanoate
CID 5459822
4-Amino-3-methylbutanoic acid
CID 3539719
4-Amino-2-methylbutanoic acid
CID 3759025
(R)-2-(Aminomethyl)-3-methylbutanoic acid
CID 11018900
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
4-Amino-2-aminomethyl-3-methyl-butyric acid
CID 10080534
4-amino-2-(aminomethyl)butanoic Acid
CID 10582817
(3S)-4-amino-3-methylbutanoic acid
CID 44313226

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)butanoic acid;hydrochloride?
The IUPAC name of 2-(aminomethyl)butanoic acid;hydrochloride (CID 50988199) is 2-(aminomethyl)butanoic acid;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)butanoic acid;hydrochloride?
The canonical SMILES for 2-(aminomethyl)butanoic acid;hydrochloride is CCC(CN)C(=O)O.Cl.
What is the InChIKey of 2-(aminomethyl)butanoic acid;hydrochloride?
The InChIKey is XZLAGEBUTYNRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c1-2-4(3-6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8);1H.
What are the key properties of 2-(aminomethyl)butanoic acid;hydrochloride?
2-(aminomethyl)butanoic 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 2-(aminomethyl)butanoic acid;hydrochloride is sourced from PubChem (CID 50988199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).