5-amino-2-(nonadec-9-enoylamino)-5-oxopentanoic acid

C24H44N2O4 — CID 123328300

IUPAC5-amino-2-(nonadec-9-enoylamino)-5-oxopentanoic acid
SMILESCCCCCCCCCC=CCCCCCCCC(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C24H44N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(28)26-21(24(29)30)19-20-22(25)27/h10-11,21H,2-9,12-20H2,1H3,(H2,25,27)(H,26,28)(H,29,30)
InChIKeyJRGBTPFJXDELLS-UHFFFAOYSA-N
MW424.63 g/mol
LogP5.25
Rot. Bonds21

About 5-amino-2-(nonadec-9-enoylamino)-5-oxopentanoic acid

5-amino-2-(nonadec-9-enoylamino)-5-oxopentanoic acid (PubChem CID 123328300) has the molecular formula C24H44N2O4 and a molecular weight of 424.63 g/mol. Its IUPAC name is 5-amino-2-(nonadec-9-enoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-(nonadec-9-enoylamino)-5-oxopentanoic acid
PubChem CID123328300
Molecular FormulaC24H44N2O4
Molecular Weight424.63 g/mol
Exact Mass424.33
IUPAC Name5-amino-2-(nonadec-9-enoylamino)-5-oxopentanoic acid
SMILESCCCCCCCCCC=CCCCCCCCC(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C24H44N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(28)26-21(24(29)30)19-20-22(25)27/h10-11,21H,2-9,12-20H2,1H3,(H2,25,27)(H,26,28)(H,29,30)
InChIKeyJRGBTPFJXDELLS-UHFFFAOYSA-N
XLogP5.25
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.63
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2-(nonadec-9-enoylamino)-5-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

(2S)-5-amino-2-[[(Z)-icos-11-enoyl]amino]-5-oxopentanoic acid
CID 171116799
5-amino-5-oxo-2-[[(E)-tetracos-15-enoyl]amino]pentanoic acid
CID 156963106
(2S)-5-amino-2-[[(Z)-heptadec-9-enoyl]amino]-5-oxopentanoic acid
CID 171116793
(2S)-5-amino-2-(hexadecanoylamino)-5-oxopentanoic acid
CID 52922071
(2R)-5-amino-2-(heptanoylamino)-5-oxopentanoic acid
CID 107830072
5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid
CID 18318649
(2S)-5-amino-2-(nonadecanoylamino)-5-oxopentanoic acid
CID 171116797
CID 175770301
CID 175770301
(2S)-5-amino-2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]amino]-5-oxopentanoic acid
CID 20832333
(2S)-4-amino-4-oxo-2-[[(Z)-pentadec-9-enoyl]amino]butanoic acid
CID 171116631
2-(dodecanoylamino)pentanedioic acid;bis(hexanamide)
CID 175413316
(2S)-5-amino-2-[[(Z)-hexadec-9-enoyl]amino]pentanoic acid
CID 171116958

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(nonadec-9-enoylamino)-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-(nonadec-9-enoylamino)-5-oxopentanoic acid (CID 123328300) is 5-amino-2-(nonadec-9-enoylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-(nonadec-9-enoylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-(nonadec-9-enoylamino)-5-oxopentanoic acid is CCCCCCCCCC=CCCCCCCCC(=O)NC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-(nonadec-9-enoylamino)-5-oxopentanoic acid?
The InChIKey is JRGBTPFJXDELLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(28)26-21(24(29)30)19-20-22(25)27/h10-11,21H,2-9,12-20H2,1H3,(H2,25,27)(H,26,28)(H,29,30).
What are the key properties of 5-amino-2-(nonadec-9-enoylamino)-5-oxopentanoic acid?
5-amino-2-(nonadec-9-enoylamino)-5-oxopentanoic acid has a molecular weight of 424.63 g/mol, XLogP of 5.25, 21 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(nonadec-9-enoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 123328300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).