(Z)-3-amino-2-(2-oxoethylamino)prop-2-enamide

C5H9N3O2 — CID 122642975

IUPAC(Z)-3-amino-2-(2-oxoethylamino)prop-2-enamide
SMILESN/C=C(\NCC=O)C(N)=O
InChIInChI=1S/C5H9N3O2/c6-3-4(5(7)10)8-1-2-9/h2-3,8H,1,6H2,(H2,7,10)/b4-3-
InChIKeyJQEKCLXBTUBUDE-ARJAWSKDSA-N
MW143.15 g/mol
LogP-1.94
Rot. Bonds4

About (Z)-3-amino-2-(2-oxoethylamino)prop-2-enamide

(Z)-3-amino-2-(2-oxoethylamino)prop-2-enamide (PubChem CID 122642975) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is (Z)-3-amino-2-(2-oxoethylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-amino-2-(2-oxoethylamino)prop-2-enamide
PubChem CID122642975
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name(Z)-3-amino-2-(2-oxoethylamino)prop-2-enamide
SMILESN/C=C(\NCC=O)C(N)=O
InChIInChI=1S/C5H9N3O2/c6-3-4(5(7)10)8-1-2-9/h2-3,8H,1,6H2,(H2,7,10)/b4-3-
InChIKeyJQEKCLXBTUBUDE-ARJAWSKDSA-N
XLogP-1.94
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-(2-oxoethylamino)prop-2-enamide?
The IUPAC name of (Z)-3-amino-2-(2-oxoethylamino)prop-2-enamide (CID 122642975) is (Z)-3-amino-2-(2-oxoethylamino)prop-2-enamide.
What is the SMILES notation for (Z)-3-amino-2-(2-oxoethylamino)prop-2-enamide?
The canonical SMILES for (Z)-3-amino-2-(2-oxoethylamino)prop-2-enamide is N/C=C(\NCC=O)C(N)=O.
What is the InChIKey of (Z)-3-amino-2-(2-oxoethylamino)prop-2-enamide?
The InChIKey is JQEKCLXBTUBUDE-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H9N3O2/c6-3-4(5(7)10)8-1-2-9/h2-3,8H,1,6H2,(H2,7,10)/b4-3-.
What are the key properties of (Z)-3-amino-2-(2-oxoethylamino)prop-2-enamide?
(Z)-3-amino-2-(2-oxoethylamino)prop-2-enamide has a molecular weight of 143.15 g/mol, XLogP of -1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-(2-oxoethylamino)prop-2-enamide is sourced from PubChem (CID 122642975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).