2-[amino(prop-2-enoyl)amino]propanoic acid

C6H10N2O3 — CID 146587027

IUPAC2-[amino(prop-2-enoyl)amino]propanoic acid
SMILESC=CC(=O)N(N)C(C)C(=O)O
InChIInChI=1S/C6H10N2O3/c1-3-5(9)8(7)4(2)6(10)11/h3-4H,1,7H2,2H3,(H,10,11)
InChIKeySKDIYIVYXMJVPM-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.65
Rot. Bonds3

About 2-[amino(prop-2-enoyl)amino]propanoic acid

2-[amino(prop-2-enoyl)amino]propanoic acid (PubChem CID 146587027) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 2-[amino(prop-2-enoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[amino(prop-2-enoyl)amino]propanoic acid
PubChem CID146587027
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name2-[amino(prop-2-enoyl)amino]propanoic acid
SMILESC=CC(=O)N(N)C(C)C(=O)O
InChIInChI=1S/C6H10N2O3/c1-3-5(9)8(7)4(2)6(10)11/h3-4H,1,7H2,2H3,(H,10,11)
InChIKeySKDIYIVYXMJVPM-UHFFFAOYSA-N
XLogP-0.65
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(prop-2-enoyl)amino]propanoic acid?
The IUPAC name of 2-[amino(prop-2-enoyl)amino]propanoic acid (CID 146587027) is 2-[amino(prop-2-enoyl)amino]propanoic acid.
What is the SMILES notation for 2-[amino(prop-2-enoyl)amino]propanoic acid?
The canonical SMILES for 2-[amino(prop-2-enoyl)amino]propanoic acid is C=CC(=O)N(N)C(C)C(=O)O.
What is the InChIKey of 2-[amino(prop-2-enoyl)amino]propanoic acid?
The InChIKey is SKDIYIVYXMJVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-3-5(9)8(7)4(2)6(10)11/h3-4H,1,7H2,2H3,(H,10,11).
What are the key properties of 2-[amino(prop-2-enoyl)amino]propanoic acid?
2-[amino(prop-2-enoyl)amino]propanoic acid has a molecular weight of 158.16 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(prop-2-enoyl)amino]propanoic acid is sourced from PubChem (CID 146587027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).