2-[2-methoxyethyl(methyl)amino]-4-methylpentanoic acid

C10H21NO3 — CID 18426364

IUPAC2-[2-methoxyethyl(methyl)amino]-4-methylpentanoic acid
SMILESCOCCN(C)C(CC(C)C)C(=O)O
InChIInChI=1S/C10H21NO3/c1-8(2)7-9(10(12)13)11(3)5-6-14-4/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyGBVPGSKKDMRSKD-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.06
Rot. Bonds7

About 2-[2-methoxyethyl(methyl)amino]-4-methylpentanoic acid

2-[2-methoxyethyl(methyl)amino]-4-methylpentanoic acid (PubChem CID 18426364) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-[2-methoxyethyl(methyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(methyl)amino]-4-methylpentanoic acid
PubChem CID18426364
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-[2-methoxyethyl(methyl)amino]-4-methylpentanoic acid
SMILESCOCCN(C)C(CC(C)C)C(=O)O
InChIInChI=1S/C10H21NO3/c1-8(2)7-9(10(12)13)11(3)5-6-14-4/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyGBVPGSKKDMRSKD-UHFFFAOYSA-N
XLogP1.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-methoxyethyl(methyl)amino]-4-methylpentanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(methyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[2-methoxyethyl(methyl)amino]-4-methylpentanoic acid (CID 18426364) is 2-[2-methoxyethyl(methyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[2-methoxyethyl(methyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[2-methoxyethyl(methyl)amino]-4-methylpentanoic acid is COCCN(C)C(CC(C)C)C(=O)O.
What is the InChIKey of 2-[2-methoxyethyl(methyl)amino]-4-methylpentanoic acid?
The InChIKey is GBVPGSKKDMRSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-8(2)7-9(10(12)13)11(3)5-6-14-4/h8-9H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 2-[2-methoxyethyl(methyl)amino]-4-methylpentanoic acid?
2-[2-methoxyethyl(methyl)amino]-4-methylpentanoic acid has a molecular weight of 203.28 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(methyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 18426364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).