2-amino-3-methylbutanoic acid

C5H11NO2 — CID 1182

IUPAC2-amino-3-methylbutanoic acid
SMILESCC(C)C(N)C(=O)O
InChIInChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)
InChIKeyKZSNJWFQEVHDMF-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.05
Rot. Bonds2

About 2-amino-3-methylbutanoic acid

2-amino-3-methylbutanoic acid (PubChem CID 1182) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 2-amino-3-methylbutanoic acid.

Molecular Properties

Compound Name2-amino-3-methylbutanoic acid
PubChem CID1182
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name2-amino-3-methylbutanoic acid
SMILESCC(C)C(N)C(=O)O
InChIInChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)
InChIKeyKZSNJWFQEVHDMF-UHFFFAOYSA-N
XLogP0.05
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylbutanoic acid?
The IUPAC name of 2-amino-3-methylbutanoic acid (CID 1182) is 2-amino-3-methylbutanoic acid.
What is the SMILES notation for 2-amino-3-methylbutanoic acid?
The canonical SMILES for 2-amino-3-methylbutanoic acid is CC(C)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-methylbutanoic acid?
The InChIKey is KZSNJWFQEVHDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8).
What are the key properties of 2-amino-3-methylbutanoic acid?
2-amino-3-methylbutanoic acid has a molecular weight of 117.15 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylbutanoic acid is sourced from PubChem (CID 1182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).