2-[ethanimidoyl(methyl)amino]propanoic acid

C6H12N2O2 — CID 59020920

IUPAC2-[ethanimidoyl(methyl)amino]propanoic acid
SMILES[H]/N=C(\C)N(C)C(C)C(=O)O
InChIInChI=1S/C6H12N2O2/c1-4(6(9)10)8(3)5(2)7/h4,7H,1-3H3,(H,9,10)/b7-5+
InChIKeyKMLCGABNOCTXEF-FNORWQNLSA-N
MW144.17 g/mol
LogP0.39
Rot. Bonds2

About 2-[ethanimidoyl(methyl)amino]propanoic acid

2-[ethanimidoyl(methyl)amino]propanoic acid (PubChem CID 59020920) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-[ethanimidoyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[ethanimidoyl(methyl)amino]propanoic acid
PubChem CID59020920
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name2-[ethanimidoyl(methyl)amino]propanoic acid
SMILES[H]/N=C(\C)N(C)C(C)C(=O)O
InChIInChI=1S/C6H12N2O2/c1-4(6(9)10)8(3)5(2)7/h4,7H,1-3H3,(H,9,10)/b7-5+
InChIKeyKMLCGABNOCTXEF-FNORWQNLSA-N
XLogP0.39
TPSA64.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[ethanimidoyl(methyl)amino]propanoic acid?
The IUPAC name of 2-[ethanimidoyl(methyl)amino]propanoic acid (CID 59020920) is 2-[ethanimidoyl(methyl)amino]propanoic acid.
What is the SMILES notation for 2-[ethanimidoyl(methyl)amino]propanoic acid?
The canonical SMILES for 2-[ethanimidoyl(methyl)amino]propanoic acid is [H]/N=C(\C)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[ethanimidoyl(methyl)amino]propanoic acid?
The InChIKey is KMLCGABNOCTXEF-FNORWQNLSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4(6(9)10)8(3)5(2)7/h4,7H,1-3H3,(H,9,10)/b7-5+.
What are the key properties of 2-[ethanimidoyl(methyl)amino]propanoic acid?
2-[ethanimidoyl(methyl)amino]propanoic acid has a molecular weight of 144.17 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethanimidoyl(methyl)amino]propanoic acid is sourced from PubChem (CID 59020920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).