(Z)-3-aminoprop-2-enoate

C3H4NO2- — CID 46173135

IUPAC(Z)-3-aminoprop-2-enoate
SMILESN/C=C\C(=O)[O-]
InChIInChI=1S/C3H5NO2/c4-2-1-3(5)6/h1-2H,4H2,(H,5,6)/p-1/b2-1-
InChIKeyYTLYLLTVENPWFT-UPHRSURJSA-M
MW86.07 g/mol
LogP-1.79
Rot. Bonds1

About (Z)-3-aminoprop-2-enoate

(Z)-3-aminoprop-2-enoate (PubChem CID 46173135) has the molecular formula C3H4NO2- and a molecular weight of 86.07 g/mol. Its IUPAC name is (Z)-3-aminoprop-2-enoate.

Molecular Properties

Compound Name(Z)-3-aminoprop-2-enoate
PubChem CID46173135
Molecular FormulaC3H4NO2-
Molecular Weight86.07 g/mol
Exact Mass86.02
IUPAC Name(Z)-3-aminoprop-2-enoate
SMILESN/C=C\C(=O)[O-]
InChIInChI=1S/C3H5NO2/c4-2-1-3(5)6/h1-2H,4H2,(H,5,6)/p-1/b2-1-
InChIKeyYTLYLLTVENPWFT-UPHRSURJSA-M
XLogP-1.79
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.07
LogP ≤ 5-1.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-3-aminoprop-2-enoate 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)-3-aminoprop-2-enoate?
The IUPAC name of (Z)-3-aminoprop-2-enoate (CID 46173135) is (Z)-3-aminoprop-2-enoate.
What is the SMILES notation for (Z)-3-aminoprop-2-enoate?
The canonical SMILES for (Z)-3-aminoprop-2-enoate is N/C=C\C(=O)[O-].
What is the InChIKey of (Z)-3-aminoprop-2-enoate?
The InChIKey is YTLYLLTVENPWFT-UPHRSURJSA-M. The full InChI is InChI=1S/C3H5NO2/c4-2-1-3(5)6/h1-2H,4H2,(H,5,6)/p-1/b2-1-.
What are the key properties of (Z)-3-aminoprop-2-enoate?
(Z)-3-aminoprop-2-enoate has a molecular weight of 86.07 g/mol, XLogP of -1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-aminoprop-2-enoate is sourced from PubChem (CID 46173135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).