4-amino-2-methylbutanoic acid

C5H11NO2 — CID 3759025

IUPAC4-amino-2-methylbutanoic acid
SMILESCC(CCN)C(=O)O
InChIInChI=1S/C5H11NO2/c1-4(2-3-6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChIKeyAEBRINKRALSWNY-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.06
Rot. Bonds3

About 4-amino-2-methylbutanoic acid

4-amino-2-methylbutanoic acid (PubChem CID 3759025) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 4-amino-2-methylbutanoic acid.

Molecular Properties

Compound Name4-amino-2-methylbutanoic acid
PubChem CID3759025
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name4-amino-2-methylbutanoic acid
SMILESCC(CCN)C(=O)O
InChIInChI=1S/C5H11NO2/c1-4(2-3-6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChIKeyAEBRINKRALSWNY-UHFFFAOYSA-N
XLogP0.06
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-6-amino-2-methylhexanoic acid
CID 92976969
(2S)-4-fluoro-2-methylbutanoic acid
CID 89258003
(2S)-4-amino-2-methylbutanamide
CID 87412339
6-amino-2-methyl-4-sulfanylhexanoic acid
CID 139712769
6-amino-2-methylhexanoic acid;2-methylhexanoic acid
CID 157205316
5-hydroxy-2-methylhexanoic acid
CID 19873756
(2S)-4-amino-2-(ethylamino)butanoic acid
CID 89433986
CID 159174397
CID 159174397
6-hydroxy-2,5-dimethylhept-6-enoic acid
CID 88859921
4-hydroxy-2-methylbutanoic acid;hydrochloride
CID 90219221
(2S,6S)-6-amino-2-methylheptanoic acid
CID 93493350
(2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid
CID 107565180

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methylbutanoic acid?
The IUPAC name of 4-amino-2-methylbutanoic acid (CID 3759025) is 4-amino-2-methylbutanoic acid.
What is the SMILES notation for 4-amino-2-methylbutanoic acid?
The canonical SMILES for 4-amino-2-methylbutanoic acid is CC(CCN)C(=O)O.
What is the InChIKey of 4-amino-2-methylbutanoic acid?
The InChIKey is AEBRINKRALSWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-4(2-3-6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8).
What are the key properties of 4-amino-2-methylbutanoic acid?
4-amino-2-methylbutanoic acid has a molecular weight of 117.15 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methylbutanoic acid is sourced from PubChem (CID 3759025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).