5-[hexyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid

C13H26N2O3 — CID 22969861

IUPAC5-[hexyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
SMILESCCCCCCN(C)CC(=O)C(CC(=O)O)NC
InChIInChI=1S/C13H26N2O3/c1-4-5-6-7-8-15(3)10-12(16)11(14-2)9-13(17)18/h11,14H,4-10H2,1-3H3,(H,17,18)
InChIKeyUIWWOAAOGQFYIE-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.13
Rot. Bonds11

About 5-[hexyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid

5-[hexyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid (PubChem CID 22969861) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 5-[hexyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid.

Molecular Properties

Compound Name5-[hexyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
PubChem CID22969861
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name5-[hexyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
SMILESCCCCCCN(C)CC(=O)C(CC(=O)O)NC
InChIInChI=1S/C13H26N2O3/c1-4-5-6-7-8-15(3)10-12(16)11(14-2)9-13(17)18/h11,14H,4-10H2,1-3H3,(H,17,18)
InChIKeyUIWWOAAOGQFYIE-UHFFFAOYSA-N
XLogP1.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[hexyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid?
The IUPAC name of 5-[hexyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid (CID 22969861) is 5-[hexyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid.
What is the SMILES notation for 5-[hexyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid?
The canonical SMILES for 5-[hexyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid is CCCCCCN(C)CC(=O)C(CC(=O)O)NC.
What is the InChIKey of 5-[hexyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid?
The InChIKey is UIWWOAAOGQFYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-5-6-7-8-15(3)10-12(16)11(14-2)9-13(17)18/h11,14H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 5-[hexyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid?
5-[hexyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid has a molecular weight of 258.36 g/mol, XLogP of 1.13, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hexyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid is sourced from PubChem (CID 22969861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).