(Z)-4-formamidobut-3-enoic acid

C5H7NO3 — CID 15944664

IUPAC(Z)-4-formamidobut-3-enoic acid
SMILESO=CN/C=C\CC(=O)O
InChIInChI=1S/C5H7NO3/c7-4-6-3-1-2-5(8)9/h1,3-4H,2H2,(H,6,7)(H,8,9)/b3-1-
InChIKeyAKBFEOKFVMOALU-IWQZZHSRSA-N
MW129.11 g/mol
LogP-0.28
Rot. Bonds4

About (Z)-4-formamidobut-3-enoic acid

(Z)-4-formamidobut-3-enoic acid (PubChem CID 15944664) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is (Z)-4-formamidobut-3-enoic acid.

Molecular Properties

Compound Name(Z)-4-formamidobut-3-enoic acid
PubChem CID15944664
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name(Z)-4-formamidobut-3-enoic acid
SMILESO=CN/C=C\CC(=O)O
InChIInChI=1S/C5H7NO3/c7-4-6-3-1-2-5(8)9/h1,3-4H,2H2,(H,6,7)(H,8,9)/b3-1-
InChIKeyAKBFEOKFVMOALU-IWQZZHSRSA-N
XLogP-0.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-4-formamidobut-3-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

Frequently Asked Questions

What is the IUPAC name of (Z)-4-formamidobut-3-enoic acid?
The IUPAC name of (Z)-4-formamidobut-3-enoic acid (CID 15944664) is (Z)-4-formamidobut-3-enoic acid.
What is the SMILES notation for (Z)-4-formamidobut-3-enoic acid?
The canonical SMILES for (Z)-4-formamidobut-3-enoic acid is O=CN/C=C\CC(=O)O.
What is the InChIKey of (Z)-4-formamidobut-3-enoic acid?
The InChIKey is AKBFEOKFVMOALU-IWQZZHSRSA-N. The full InChI is InChI=1S/C5H7NO3/c7-4-6-3-1-2-5(8)9/h1,3-4H,2H2,(H,6,7)(H,8,9)/b3-1-.
What are the key properties of (Z)-4-formamidobut-3-enoic acid?
(Z)-4-formamidobut-3-enoic acid has a molecular weight of 129.11 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-formamidobut-3-enoic acid is sourced from PubChem (CID 15944664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).