3-[[bis(prop-2-enyl)amino]-prop-2-enylamino]propanoic acid

C12H20N2O2 — CID 3375557

IUPAC3-[[bis(prop-2-enyl)amino]-prop-2-enylamino]propanoic acid
SMILESC=CCN(CC=C)N(CC=C)CCC(=O)O
InChIInChI=1S/C12H20N2O2/c1-4-8-13(9-5-2)14(10-6-3)11-7-12(15)16/h4-6H,1-3,7-11H2,(H,15,16)
InChIKeyVYABUWHDRFLCCN-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.54
Rot. Bonds10

About 3-[[bis(prop-2-enyl)amino]-prop-2-enylamino]propanoic acid

3-[[bis(prop-2-enyl)amino]-prop-2-enylamino]propanoic acid (PubChem CID 3375557) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-[[bis(prop-2-enyl)amino]-prop-2-enylamino]propanoic acid.

Molecular Properties

Compound Name3-[[bis(prop-2-enyl)amino]-prop-2-enylamino]propanoic acid
PubChem CID3375557
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-[[bis(prop-2-enyl)amino]-prop-2-enylamino]propanoic acid
SMILESC=CCN(CC=C)N(CC=C)CCC(=O)O
InChIInChI=1S/C12H20N2O2/c1-4-8-13(9-5-2)14(10-6-3)11-7-12(15)16/h4-6H,1-3,7-11H2,(H,15,16)
InChIKeyVYABUWHDRFLCCN-UHFFFAOYSA-N
XLogP1.54
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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 3-[[bis(prop-2-enyl)amino]-prop-2-enylamino]propanoic acid?
The IUPAC name of 3-[[bis(prop-2-enyl)amino]-prop-2-enylamino]propanoic acid (CID 3375557) is 3-[[bis(prop-2-enyl)amino]-prop-2-enylamino]propanoic acid.
What is the SMILES notation for 3-[[bis(prop-2-enyl)amino]-prop-2-enylamino]propanoic acid?
The canonical SMILES for 3-[[bis(prop-2-enyl)amino]-prop-2-enylamino]propanoic acid is C=CCN(CC=C)N(CC=C)CCC(=O)O.
What is the InChIKey of 3-[[bis(prop-2-enyl)amino]-prop-2-enylamino]propanoic acid?
The InChIKey is VYABUWHDRFLCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-8-13(9-5-2)14(10-6-3)11-7-12(15)16/h4-6H,1-3,7-11H2,(H,15,16).
What are the key properties of 3-[[bis(prop-2-enyl)amino]-prop-2-enylamino]propanoic acid?
3-[[bis(prop-2-enyl)amino]-prop-2-enylamino]propanoic acid has a molecular weight of 224.30 g/mol, XLogP of 1.54, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[bis(prop-2-enyl)amino]-prop-2-enylamino]propanoic acid is sourced from PubChem (CID 3375557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).