(E)-5-amino-4-oxopent-2-enoic acid

C5H7NO3 — CID 23437125

IUPAC(E)-5-amino-4-oxopent-2-enoic acid
SMILESNCC(=O)/C=C/C(=O)O
InChIInChI=1S/C5H7NO3/c6-3-4(7)1-2-5(8)9/h1-2H,3,6H2,(H,8,9)/b2-1+
InChIKeyGTAKXSUYHGJILZ-OWOJBTEDSA-N
MW129.11 g/mol
LogP-0.85
Rot. Bonds3

About (E)-5-amino-4-oxopent-2-enoic acid

(E)-5-amino-4-oxopent-2-enoic acid (PubChem CID 23437125) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is (E)-5-amino-4-oxopent-2-enoic acid.

Molecular Properties

Compound Name(E)-5-amino-4-oxopent-2-enoic acid
PubChem CID23437125
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name(E)-5-amino-4-oxopent-2-enoic acid
SMILESNCC(=O)/C=C/C(=O)O
InChIInChI=1S/C5H7NO3/c6-3-4(7)1-2-5(8)9/h1-2H,3,6H2,(H,8,9)/b2-1+
InChIKeyGTAKXSUYHGJILZ-OWOJBTEDSA-N
XLogP-0.85
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-5-amino-4-oxopent-2-enoic 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

(E)-but-2-enedioic acid;ethanamine
CID 173189224
bis((E)-but-2-enedioic acid);hydrazine
CID 174490734
disodium;2-aminoacetic acid;(E)-but-2-enedioic acid;carbonate
CID 159023681
(Z)-1-aminopent-3-en-2-one
CID 143495154
(Z)-but-2-enedioic acid;copper(1+)
CID 139263227
(E)-but-2-enedioic acid;iron
CID 5478817
(Z)-but-2-enedioic acid;manganese
CID 87121555
CID 87073039
CID 87073039
(Z)-but-2-enedioic acid;nickel
CID 24883656
tris(but-2-enedioic acid);hydrate
CID 173409563
(Z)-but-2-enedioic acid;hydrate
CID 86620054
CID 76552400
CID 76552400

Frequently Asked Questions

What is the IUPAC name of (E)-5-amino-4-oxopent-2-enoic acid?
The IUPAC name of (E)-5-amino-4-oxopent-2-enoic acid (CID 23437125) is (E)-5-amino-4-oxopent-2-enoic acid.
What is the SMILES notation for (E)-5-amino-4-oxopent-2-enoic acid?
The canonical SMILES for (E)-5-amino-4-oxopent-2-enoic acid is NCC(=O)/C=C/C(=O)O.
What is the InChIKey of (E)-5-amino-4-oxopent-2-enoic acid?
The InChIKey is GTAKXSUYHGJILZ-OWOJBTEDSA-N. The full InChI is InChI=1S/C5H7NO3/c6-3-4(7)1-2-5(8)9/h1-2H,3,6H2,(H,8,9)/b2-1+.
What are the key properties of (E)-5-amino-4-oxopent-2-enoic acid?
(E)-5-amino-4-oxopent-2-enoic acid has a molecular weight of 129.11 g/mol, XLogP of -0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-amino-4-oxopent-2-enoic acid is sourced from PubChem (CID 23437125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).