2-amino-3-(2-methylpentoxy)propanoic acid

C9H19NO3 — CID 103282764

IUPAC2-amino-3-(2-methylpentoxy)propanoic acid
SMILESCCCC(C)COCC(N)C(=O)O
InChIInChI=1S/C9H19NO3/c1-3-4-7(2)5-13-6-8(10)9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12)
InChIKeyOVDJABNUAWQDQZ-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.85
Rot. Bonds7

About 2-amino-3-(2-methylpentoxy)propanoic acid

2-amino-3-(2-methylpentoxy)propanoic acid (PubChem CID 103282764) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-amino-3-(2-methylpentoxy)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-methylpentoxy)propanoic acid
PubChem CID103282764
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-amino-3-(2-methylpentoxy)propanoic acid
SMILESCCCC(C)COCC(N)C(=O)O
InChIInChI=1S/C9H19NO3/c1-3-4-7(2)5-13-6-8(10)9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12)
InChIKeyOVDJABNUAWQDQZ-UHFFFAOYSA-N
XLogP0.85
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-(2-methylpentoxy)propanoic acid 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,3S)-2-amino-3-hydroxy-4-methyl-pentanoic acid tert-butyl ester
CID 15408106
(2S)-2-amino-3-[(2S)-2-amino-3-methylbutanoyl]oxypropanoic acid
CID 53640588
(2S,3R)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxybutanoic acid
CID 53785976
(2S)-2-amino-3-[(2S)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxypropanoyl]oxypropanoic acid
CID 53903279
(2S,3R)-2-amino-3-[(2S)-2-amino-3-methylbutanoyl]oxybutanoic acid
CID 54000498
(2S)-2-amino-3-[(2S,3S)-2-amino-3-methylpentanoyl]oxypropanoic acid
CID 54050915
(2S)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxypropanoic acid
CID 54061950
(2S,3R)-2-amino-3-[(2S,3S)-2-amino-3-methylpentanoyl]oxybutanoic acid
CID 54372856
(2S)-2-amino-3-[(2S,3R)-2-amino-3-[(2S,3S)-2-amino-3-methylpentanoyl]oxybutanoyl]oxypropanoic acid
CID 57108717
2-amino-3-[(2S)-4,4-difluoro-2-methylhexoxy]propanoic acid
CID 166795672
ethyl (2S,3S)-2-amino-3-hydroxy-4,4-dimethylpentanoate
CID 11805509
(1-Ethoxy-3-hydroxy-4-methyl-1-oxopentan-2-yl)azanium chloride
CID 72828624

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methylpentoxy)propanoic acid?
The IUPAC name of 2-amino-3-(2-methylpentoxy)propanoic acid (CID 103282764) is 2-amino-3-(2-methylpentoxy)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-methylpentoxy)propanoic acid?
The canonical SMILES for 2-amino-3-(2-methylpentoxy)propanoic acid is CCCC(C)COCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(2-methylpentoxy)propanoic acid?
The InChIKey is OVDJABNUAWQDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-3-4-7(2)5-13-6-8(10)9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12).
What are the key properties of 2-amino-3-(2-methylpentoxy)propanoic acid?
2-amino-3-(2-methylpentoxy)propanoic acid has a molecular weight of 189.25 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methylpentoxy)propanoic acid is sourced from PubChem (CID 103282764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).