4-[3-(3-carboxypropanoylamino)propylamino]-4-oxobutanoic acid

C11H18N2O6 — CID 15865286

IUPAC4-[3-(3-carboxypropanoylamino)propylamino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NCCCNC(=O)CCC(=O)O
InChIInChI=1S/C11H18N2O6/c14-8(2-4-10(16)17)12-6-1-7-13-9(15)3-5-11(18)19/h1-7H2,(H,12,14)(H,13,15)(H,16,17)(H,18,19)
InChIKeyLBSSWYNXJJYODR-UHFFFAOYSA-N
MW274.27 g/mol
LogP-0.66
Rot. Bonds10

About 4-[3-(3-carboxypropanoylamino)propylamino]-4-oxobutanoic acid

4-[3-(3-carboxypropanoylamino)propylamino]-4-oxobutanoic acid (PubChem CID 15865286) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is 4-[3-(3-carboxypropanoylamino)propylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[3-(3-carboxypropanoylamino)propylamino]-4-oxobutanoic acid
PubChem CID15865286
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name4-[3-(3-carboxypropanoylamino)propylamino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NCCCNC(=O)CCC(=O)O
InChIInChI=1S/C11H18N2O6/c14-8(2-4-10(16)17)12-6-1-7-13-9(15)3-5-11(18)19/h1-7H2,(H,12,14)(H,13,15)(H,16,17)(H,18,19)
InChIKeyLBSSWYNXJJYODR-UHFFFAOYSA-N
XLogP-0.66
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[3-(3-carboxypropanoylamino)propylamino]-4-oxobutanoic 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 4-[3-(3-carboxypropanoylamino)propylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[3-(3-carboxypropanoylamino)propylamino]-4-oxobutanoic acid (CID 15865286) is 4-[3-(3-carboxypropanoylamino)propylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[3-(3-carboxypropanoylamino)propylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[3-(3-carboxypropanoylamino)propylamino]-4-oxobutanoic acid is O=C(O)CCC(=O)NCCCNC(=O)CCC(=O)O.
What is the InChIKey of 4-[3-(3-carboxypropanoylamino)propylamino]-4-oxobutanoic acid?
The InChIKey is LBSSWYNXJJYODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6/c14-8(2-4-10(16)17)12-6-1-7-13-9(15)3-5-11(18)19/h1-7H2,(H,12,14)(H,13,15)(H,16,17)(H,18,19).
What are the key properties of 4-[3-(3-carboxypropanoylamino)propylamino]-4-oxobutanoic acid?
4-[3-(3-carboxypropanoylamino)propylamino]-4-oxobutanoic acid has a molecular weight of 274.27 g/mol, XLogP of -0.66, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-carboxypropanoylamino)propylamino]-4-oxobutanoic acid is sourced from PubChem (CID 15865286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).