2-amino-4-methylpentanoate

C12H24N2O4-2 — CID 157437742

IUPAC2-amino-4-methylpentanoate
SMILESCC(C)CC(N)C(=O)[O-].CC(C)CC(N)C(=O)[O-]
InChIInChI=1S/2C6H13NO2/c2*1-4(2)3-5(7)6(8)9/h2*4-5H,3,7H2,1-2H3,(H,8,9)/p-2
InChIKeyBRHPBVXVOVMTIQ-UHFFFAOYSA-L
MW260.33 g/mol
LogP-1.78
Rot. Bonds6

About 2-amino-4-methylpentanoate

2-amino-4-methylpentanoate (PubChem CID 157437742) has the molecular formula C12H24N2O4-2 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-amino-4-methylpentanoate.

Molecular Properties

Compound Name2-amino-4-methylpentanoate
PubChem CID157437742
Molecular FormulaC12H24N2O4-2
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-amino-4-methylpentanoate
SMILESCC(C)CC(N)C(=O)[O-].CC(C)CC(N)C(=O)[O-]
InChIInChI=1S/2C6H13NO2/c2*1-4(2)3-5(7)6(8)9/h2*4-5H,3,7H2,1-2H3,(H,8,9)/p-2
InChIKeyBRHPBVXVOVMTIQ-UHFFFAOYSA-L
XLogP-1.78
TPSA132.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-1.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-4-methylpentanoate;iron(3+)
CID 172736256
copper;(2S,4R)-2-amino-4-hydroxypentanoate;(2R,4S)-2-amino-4-hydroxypentanoate
CID 139053843
(4S,7S)-4,7-diamino-2,9-dimethyldecane-5,6-dione
CID 57076326
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
2-amino-4-methylpentanoic acid;chromium
CID 88640601
(2S)-2-amino-4-hydroxypentanedioate
CID 5460078
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
(2S)-2-amino-4-methylpentanoyl iodide
CID 126568368
CID 6369563
CID 6369563
2-aminobutanedioate
CID 4519554
sodium;(2S)-2-amino-4-methylpentanoic acid;hydride
CID 173065319

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylpentanoate?
The IUPAC name of 2-amino-4-methylpentanoate (CID 157437742) is 2-amino-4-methylpentanoate.
What is the SMILES notation for 2-amino-4-methylpentanoate?
The canonical SMILES for 2-amino-4-methylpentanoate is CC(C)CC(N)C(=O)[O-].CC(C)CC(N)C(=O)[O-].
What is the InChIKey of 2-amino-4-methylpentanoate?
The InChIKey is BRHPBVXVOVMTIQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H13NO2/c2*1-4(2)3-5(7)6(8)9/h2*4-5H,3,7H2,1-2H3,(H,8,9)/p-2.
What are the key properties of 2-amino-4-methylpentanoate?
2-amino-4-methylpentanoate has a molecular weight of 260.33 g/mol, XLogP of -1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylpentanoate is sourced from PubChem (CID 157437742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).