4-amino-2-methylbutanoic acid

C10H22N2O4 — CID 158730439

IUPAC4-amino-2-methylbutanoic acid
SMILESCC(CCN)C(=O)O.CC(CCN)C(=O)O
InChIInChI=1S/2C5H11NO2/c2*1-4(2-3-6)5(7)8/h2*4H,2-3,6H2,1H3,(H,7,8)
InChIKeyILALNSVCUQRMFG-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.11
Rot. Bonds6

About 4-amino-2-methylbutanoic acid

4-amino-2-methylbutanoic acid (PubChem CID 158730439) has the molecular formula C10H22N2O4 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-amino-2-methylbutanoic acid.

Molecular Properties

Compound Name4-amino-2-methylbutanoic acid
PubChem CID158730439
Molecular FormulaC10H22N2O4
Molecular Weight234.30 g/mol
Exact Mass234.16
IUPAC Name4-amino-2-methylbutanoic acid
SMILESCC(CCN)C(=O)O.CC(CCN)C(=O)O
InChIInChI=1S/2C5H11NO2/c2*1-4(2-3-6)5(7)8/h2*4H,2-3,6H2,1H3,(H,7,8)
InChIKeyILALNSVCUQRMFG-UHFFFAOYSA-N
XLogP0.11
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-3-[(trimethylsilyl)methyl]butanoic acid
CID 70673734
4-Amino-3-methylbutanoic acid
CID 3539719
4-Amino-2-methylbutanoic acid
CID 3759025
(3R)-3-(aminomethyl)-4-trimethylsilylbutanoic acid
CID 71463081
(3S)-3-(aminomethyl)-4-trimethylsilylbutanoic acid
CID 71463082
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
4-Amino-2-aminomethyl-3,3-dimethyl-butyric acid
CID 10678540
(3S)-4-amino-3-methylbutanoic acid
CID 44313226

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methylbutanoic acid?
The IUPAC name of 4-amino-2-methylbutanoic acid (CID 158730439) 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.CC(CCN)C(=O)O.
What is the InChIKey of 4-amino-2-methylbutanoic acid?
The InChIKey is ILALNSVCUQRMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11NO2/c2*1-4(2-3-6)5(7)8/h2*4H,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 234.30 g/mol, XLogP of 0.11, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methylbutanoic acid is sourced from PubChem (CID 158730439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).