(5S)-5,9-diamino-2-methyl-4-oxononanoic acid

C10H20N2O3 — CID 14542163

IUPAC(5S)-5,9-diamino-2-methyl-4-oxononanoic acid
SMILESCC(CC(=O)[C@@H](N)CCCCN)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(10(14)15)6-9(13)8(12)4-2-3-5-11/h7-8H,2-6,11-12H2,1H3,(H,14,15)/t7?,8-/m0/s1
InChIKeyGUHHCAVJLIYCJR-MQWKRIRWSA-N
MW216.28 g/mol
LogP0.12
Rot. Bonds8

About (5S)-5,9-diamino-2-methyl-4-oxononanoic acid

(5S)-5,9-diamino-2-methyl-4-oxononanoic acid (PubChem CID 14542163) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (5S)-5,9-diamino-2-methyl-4-oxononanoic acid.

Molecular Properties

Compound Name(5S)-5,9-diamino-2-methyl-4-oxononanoic acid
PubChem CID14542163
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(5S)-5,9-diamino-2-methyl-4-oxononanoic acid
SMILESCC(CC(=O)[C@@H](N)CCCCN)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(10(14)15)6-9(13)8(12)4-2-3-5-11/h7-8H,2-6,11-12H2,1H3,(H,14,15)/t7?,8-/m0/s1
InChIKeyGUHHCAVJLIYCJR-MQWKRIRWSA-N
XLogP0.12
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-5,9-diamino-2-methyl-4-oxononanoic 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 (5S)-5,9-diamino-2-methyl-4-oxononanoic acid?
The IUPAC name of (5S)-5,9-diamino-2-methyl-4-oxononanoic acid (CID 14542163) is (5S)-5,9-diamino-2-methyl-4-oxononanoic acid.
What is the SMILES notation for (5S)-5,9-diamino-2-methyl-4-oxononanoic acid?
The canonical SMILES for (5S)-5,9-diamino-2-methyl-4-oxononanoic acid is CC(CC(=O)[C@@H](N)CCCCN)C(=O)O.
What is the InChIKey of (5S)-5,9-diamino-2-methyl-4-oxononanoic acid?
The InChIKey is GUHHCAVJLIYCJR-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(10(14)15)6-9(13)8(12)4-2-3-5-11/h7-8H,2-6,11-12H2,1H3,(H,14,15)/t7?,8-/m0/s1.
What are the key properties of (5S)-5,9-diamino-2-methyl-4-oxononanoic acid?
(5S)-5,9-diamino-2-methyl-4-oxononanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.12, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5,9-diamino-2-methyl-4-oxononanoic acid is sourced from PubChem (CID 14542163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).