2-amino-4-methylpentanoic acid

C6H13NO2 — CID 857

IUPAC2-amino-4-methylpentanoic acid
SMILESCC(C)CC(N)C(=O)O
InChIInChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
InChIKeyROHFNLRQFUQHCH-UHFFFAOYSA-N
MW131.17 g/mol
LogP0.44
Rot. Bonds3

About 2-amino-4-methylpentanoic acid

2-amino-4-methylpentanoic acid (PubChem CID 857) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 2-amino-4-methylpentanoic acid.

Molecular Properties

Compound Name2-amino-4-methylpentanoic acid
PubChem CID857
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name2-amino-4-methylpentanoic acid
SMILESCC(C)CC(N)C(=O)O
InChIInChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
InChIKeyROHFNLRQFUQHCH-UHFFFAOYSA-N
XLogP0.44
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylpentanoic acid?
The IUPAC name of 2-amino-4-methylpentanoic acid (CID 857) is 2-amino-4-methylpentanoic acid.
What is the SMILES notation for 2-amino-4-methylpentanoic acid?
The canonical SMILES for 2-amino-4-methylpentanoic acid is CC(C)CC(N)C(=O)O.
What is the InChIKey of 2-amino-4-methylpentanoic acid?
The InChIKey is ROHFNLRQFUQHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9).
What are the key properties of 2-amino-4-methylpentanoic acid?
2-amino-4-methylpentanoic acid has a molecular weight of 131.17 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylpentanoic acid is sourced from PubChem (CID 857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).