3-[2-hydroxyethyl(methyl)amino]pentanoic acid

C8H17NO3 — CID 112708683

IUPAC3-[2-hydroxyethyl(methyl)amino]pentanoic acid
SMILESCCC(CC(=O)O)N(C)CCO
InChIInChI=1S/C8H17NO3/c1-3-7(6-8(11)12)9(2)4-5-10/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyMGPJWAAIIMVPKR-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.16
Rot. Bonds6

About 3-[2-hydroxyethyl(methyl)amino]pentanoic acid

3-[2-hydroxyethyl(methyl)amino]pentanoic acid (PubChem CID 112708683) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(methyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-[2-hydroxyethyl(methyl)amino]pentanoic acid
PubChem CID112708683
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name3-[2-hydroxyethyl(methyl)amino]pentanoic acid
SMILESCCC(CC(=O)O)N(C)CCO
InChIInChI=1S/C8H17NO3/c1-3-7(6-8(11)12)9(2)4-5-10/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyMGPJWAAIIMVPKR-UHFFFAOYSA-N
XLogP0.16
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-hydroxyethyl(methyl)amino]pentanoic 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

3-[ethyl(methyl)amino]pentanoic acid
CID 63067557
3-[methyl(3-methylbutyl)amino]pentanoic acid
CID 63074034
3-[methyl(2-methylsulfonylethyl)amino]pentanoic acid
CID 79858971
3-[2-hydroxyethyl(methyl)amino]pentanethioamide
CID 60960763
3-[methyl(pentan-3-yl)amino]propanoic acid
CID 43571317
3-[1-hydroxybutan-2-yl(methyl)amino]propanoic acid
CID 82328726
3-[cyclopropylmethyl(methyl)amino]pentanoic acid
CID 63067785
3-[2-hydroxyethyl(methyl)amino]-4-(2,4,6-trimethylphenyl)butanoic acid
CID 82352421
2-[1-[2-[2-hydroxyethyl(methyl)amino]butoxy]butan-2-yl-methylamino]ethanol
CID 141165462
3-[2-hydroxyethyl(methyl)amino]-4-(4-methoxyphenyl)butanoic acid
CID 82352335
3-cyclopropyl-3-[2-hydroxyethyl(methyl)amino]propanoic acid
CID 83817691
3-[acetyl(butyl)amino]pentanoic acid
CID 87789164

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(methyl)amino]pentanoic acid?
The IUPAC name of 3-[2-hydroxyethyl(methyl)amino]pentanoic acid (CID 112708683) is 3-[2-hydroxyethyl(methyl)amino]pentanoic acid.
What is the SMILES notation for 3-[2-hydroxyethyl(methyl)amino]pentanoic acid?
The canonical SMILES for 3-[2-hydroxyethyl(methyl)amino]pentanoic acid is CCC(CC(=O)O)N(C)CCO.
What is the InChIKey of 3-[2-hydroxyethyl(methyl)amino]pentanoic acid?
The InChIKey is MGPJWAAIIMVPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-3-7(6-8(11)12)9(2)4-5-10/h7,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 3-[2-hydroxyethyl(methyl)amino]pentanoic acid?
3-[2-hydroxyethyl(methyl)amino]pentanoic acid has a molecular weight of 175.23 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(methyl)amino]pentanoic acid is sourced from PubChem (CID 112708683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).