5-amino-5-oxo-2-(2-prop-2-enoylhydrazinyl)pentanoic acid

C8H13N3O4 — CID 175329743

IUPAC5-amino-5-oxo-2-(2-prop-2-enoylhydrazinyl)pentanoic acid
SMILESC=CC(=O)NNC(CCC(N)=O)C(=O)O
InChIInChI=1S/C8H13N3O4/c1-2-7(13)11-10-5(8(14)15)3-4-6(9)12/h2,5,10H,1,3-4H2,(H2,9,12)(H,11,13)(H,14,15)
InChIKeyOYPLOCNBYSWGRZ-UHFFFAOYSA-N
MW215.21 g/mol
LogP-1.49
Rot. Bonds7

About 5-amino-5-oxo-2-(2-prop-2-enoylhydrazinyl)pentanoic acid

5-amino-5-oxo-2-(2-prop-2-enoylhydrazinyl)pentanoic acid (PubChem CID 175329743) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is 5-amino-5-oxo-2-(2-prop-2-enoylhydrazinyl)pentanoic acid.

Molecular Properties

Compound Name5-amino-5-oxo-2-(2-prop-2-enoylhydrazinyl)pentanoic acid
PubChem CID175329743
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name5-amino-5-oxo-2-(2-prop-2-enoylhydrazinyl)pentanoic acid
SMILESC=CC(=O)NNC(CCC(N)=O)C(=O)O
InChIInChI=1S/C8H13N3O4/c1-2-7(13)11-10-5(8(14)15)3-4-6(9)12/h2,5,10H,1,3-4H2,(H2,9,12)(H,11,13)(H,14,15)
InChIKeyOYPLOCNBYSWGRZ-UHFFFAOYSA-N
XLogP-1.49
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-amino-5-oxo-2-(2-prop-2-enoylhydrazinyl)pentanoic 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

Alanino glutamine
CID 87215990
(2S)-5-amino-2-[2-[(1S)-1-carboxyethyl](15N)hydrazinyl]-5-oxopentanoic acid
CID 90978676
gamma-Glutamyl-hydrazine hydrate
CID 154584353
(2S)-2-(2-prop-2-enoylhydrazinyl)pentanedioic acid
CID 87857303
2-(2-Prop-2-enoylhydrazinyl)pentanedioic acid
CID 87857304
(2S)-6-amino-2-(2-prop-2-enoylhydrazinyl)hexanoic acid
CID 141766090
(2S)-5-amino-5-oxo-2-(2-prop-2-enoylhydrazinyl)pentanoic acid
CID 141766093
(2S)-2-(2-acetylhydrazinyl)-5-amino-5-oxopentanoic acid
CID 142771596
5-(2-Prop-2-enoylhydrazinyl)pentanoic acid
CID 150514278
(2S)-5-amino-5-oxo-2-(2-propanoylhydrazinyl)pentanoic acid
CID 174579508
4-Amino-5-oxo-5-(2-prop-2-enoylhydrazinyl)pentanoic acid
CID 175361096
(2S)-5-amino-2-[(2,5-dioxopyrrol-1-yl)amino]-5-oxopentanoic acid
CID 175430685

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-oxo-2-(2-prop-2-enoylhydrazinyl)pentanoic acid?
The IUPAC name of 5-amino-5-oxo-2-(2-prop-2-enoylhydrazinyl)pentanoic acid (CID 175329743) is 5-amino-5-oxo-2-(2-prop-2-enoylhydrazinyl)pentanoic acid.
What is the SMILES notation for 5-amino-5-oxo-2-(2-prop-2-enoylhydrazinyl)pentanoic acid?
The canonical SMILES for 5-amino-5-oxo-2-(2-prop-2-enoylhydrazinyl)pentanoic acid is C=CC(=O)NNC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-5-oxo-2-(2-prop-2-enoylhydrazinyl)pentanoic acid?
The InChIKey is OYPLOCNBYSWGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4/c1-2-7(13)11-10-5(8(14)15)3-4-6(9)12/h2,5,10H,1,3-4H2,(H2,9,12)(H,11,13)(H,14,15).
What are the key properties of 5-amino-5-oxo-2-(2-prop-2-enoylhydrazinyl)pentanoic acid?
5-amino-5-oxo-2-(2-prop-2-enoylhydrazinyl)pentanoic acid has a molecular weight of 215.21 g/mol, XLogP of -1.49, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-oxo-2-(2-prop-2-enoylhydrazinyl)pentanoic acid is sourced from PubChem (CID 175329743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).