2-(hexylamino)-4-oxopentanoic acid

C11H21NO3 — CID 87127464

IUPAC2-(hexylamino)-4-oxopentanoic acid
SMILESCCCCCCNC(CC(C)=O)C(=O)O
InChIInChI=1S/C11H21NO3/c1-3-4-5-6-7-12-10(11(14)15)8-9(2)13/h10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyJMLXKDZVBYFSBK-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.59
Rot. Bonds9

About 2-(hexylamino)-4-oxopentanoic acid

2-(hexylamino)-4-oxopentanoic acid (PubChem CID 87127464) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-(hexylamino)-4-oxopentanoic acid.

Molecular Properties

Compound Name2-(hexylamino)-4-oxopentanoic acid
PubChem CID87127464
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-(hexylamino)-4-oxopentanoic acid
SMILESCCCCCCNC(CC(C)=O)C(=O)O
InChIInChI=1S/C11H21NO3/c1-3-4-5-6-7-12-10(11(14)15)8-9(2)13/h10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyJMLXKDZVBYFSBK-UHFFFAOYSA-N
XLogP1.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(hexylamino)-4-oxopentanoic 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

N2-((1R)-1-Carboxyethyl)-L-lysine
CID 193187
L-Lysopine
CID 3325403
Nz-(1-Carboxyethyl)-Lysine
CID 17754073
2-[(5-Methyl-3-oxohexyl)amino]propanoic acid
CID 85213140
Methylaminolevulinic acid
CID 18730697
5-(Hexylamino)-4-oxopentanoic acid
CID 44583115
N(6)-(1-Carboxyethyl)Lysine
CID 23400779
N-(5-methyl-3-oxohexyl)alanine
CID 10631902
(S)-4-Oxopiperidine-2-carboxylic acid
CID 11062499
Ethyl lysine
CID 54210468
1-Hydroxyhexanoylglycine
CID 87772907
(R)-4-Oxopiperidine-2-carboxylic acid
CID 11008023

Frequently Asked Questions

What is the IUPAC name of 2-(hexylamino)-4-oxopentanoic acid?
The IUPAC name of 2-(hexylamino)-4-oxopentanoic acid (CID 87127464) is 2-(hexylamino)-4-oxopentanoic acid.
What is the SMILES notation for 2-(hexylamino)-4-oxopentanoic acid?
The canonical SMILES for 2-(hexylamino)-4-oxopentanoic acid is CCCCCCNC(CC(C)=O)C(=O)O.
What is the InChIKey of 2-(hexylamino)-4-oxopentanoic acid?
The InChIKey is JMLXKDZVBYFSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-4-5-6-7-12-10(11(14)15)8-9(2)13/h10,12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(hexylamino)-4-oxopentanoic acid?
2-(hexylamino)-4-oxopentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexylamino)-4-oxopentanoic acid is sourced from PubChem (CID 87127464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).