2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid

C11H12N2O4 — CID 910

IUPAC2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid
SMILESNC(CC(=O)c1ccccc1NC=O)C(=O)O
InChIInChI=1S/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)
InChIKeyBYHJHXPTQMMKCA-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.24
Rot. Bonds6

About 2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid

2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid (PubChem CID 910) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid.

Molecular Properties

Compound Name2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid
PubChem CID910
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid
SMILESNC(CC(=O)c1ccccc1NC=O)C(=O)O
InChIInChI=1S/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)
InChIKeyBYHJHXPTQMMKCA-UHFFFAOYSA-N
XLogP0.24
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid?
The IUPAC name of 2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid (CID 910) is 2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid.
What is the SMILES notation for 2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid?
The canonical SMILES for 2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid is NC(CC(=O)c1ccccc1NC=O)C(=O)O.
What is the InChIKey of 2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid?
The InChIKey is BYHJHXPTQMMKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17).
What are the key properties of 2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid?
2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid has a molecular weight of 236.23 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid is sourced from PubChem (CID 910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).