4-(2-aminophenyl)-4-oxobutanoic acid

C10H11NO3 — CID 6420149

IUPAC4-(2-aminophenyl)-4-oxobutanoic acid
SMILESNc1ccccc1C(=O)CCC(=O)O
InChIInChI=1S/C10H11NO3/c11-8-4-2-1-3-7(8)9(12)5-6-10(13)14/h1-4H,5-6,11H2,(H,13,14)
InChIKeyBIASMBPERGWEBX-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.32
Rot. Bonds4

About 4-(2-aminophenyl)-4-oxobutanoic acid

4-(2-aminophenyl)-4-oxobutanoic acid (PubChem CID 6420149) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-(2-aminophenyl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(2-aminophenyl)-4-oxobutanoic acid
PubChem CID6420149
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4-(2-aminophenyl)-4-oxobutanoic acid
SMILESNc1ccccc1C(=O)CCC(=O)O
InChIInChI=1S/C10H11NO3/c11-8-4-2-1-3-7(8)9(12)5-6-10(13)14/h1-4H,5-6,11H2,(H,13,14)
InChIKeyBIASMBPERGWEBX-UHFFFAOYSA-N
XLogP1.32
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenyl)-4-oxobutanoic acid?
The IUPAC name of 4-(2-aminophenyl)-4-oxobutanoic acid (CID 6420149) is 4-(2-aminophenyl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(2-aminophenyl)-4-oxobutanoic acid?
The canonical SMILES for 4-(2-aminophenyl)-4-oxobutanoic acid is Nc1ccccc1C(=O)CCC(=O)O.
What is the InChIKey of 4-(2-aminophenyl)-4-oxobutanoic acid?
The InChIKey is BIASMBPERGWEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c11-8-4-2-1-3-7(8)9(12)5-6-10(13)14/h1-4H,5-6,11H2,(H,13,14).
What are the key properties of 4-(2-aminophenyl)-4-oxobutanoic acid?
4-(2-aminophenyl)-4-oxobutanoic acid has a molecular weight of 193.20 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenyl)-4-oxobutanoic acid is sourced from PubChem (CID 6420149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).