[1-(2-aminoanilino)-1-oxopropan-2-yl] acetate

C11H14N2O3 — CID 167409598

IUPAC[1-(2-aminoanilino)-1-oxopropan-2-yl] acetate
SMILESCC(=O)OC(C)C(=O)Nc1ccccc1N
InChIInChI=1S/C11H14N2O3/c1-7(16-8(2)14)11(15)13-10-6-4-3-5-9(10)12/h3-7H,12H2,1-2H3,(H,13,15)
InChIKeyBYLHOTRSLUSUKS-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.16
Rot. Bonds3

About [1-(2-aminoanilino)-1-oxopropan-2-yl] acetate

[1-(2-aminoanilino)-1-oxopropan-2-yl] acetate (PubChem CID 167409598) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is [1-(2-aminoanilino)-1-oxopropan-2-yl] acetate.

Molecular Properties

Compound Name[1-(2-aminoanilino)-1-oxopropan-2-yl] acetate
PubChem CID167409598
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name[1-(2-aminoanilino)-1-oxopropan-2-yl] acetate
SMILESCC(=O)OC(C)C(=O)Nc1ccccc1N
InChIInChI=1S/C11H14N2O3/c1-7(16-8(2)14)11(15)13-10-6-4-3-5-9(10)12/h3-7H,12H2,1-2H3,(H,13,15)
InChIKeyBYLHOTRSLUSUKS-UHFFFAOYSA-N
XLogP1.16
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-(2-aminoanilino)-1-oxopropan-2-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-(2-carbamoylanilino)-1-oxopropan-2-yl] acetate
CID 11075874
methyl 2-(2-acetyloxypropanoylamino)benzoate
CID 23255845
methyl 2-[[(2S)-2-acetyloxypropanoyl]amino]benzoate
CID 129389746
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716
[(2S)-1-anilino-1-oxopropan-2-yl] acetate
CID 7000051
N-(2-aminophenyl)-2-(2-methylbutan-2-yloxy)propanamide
CID 43127203
N-(2-aminophenyl)-2-cyclobutyloxypropanamide
CID 62116312
N-(2-aminophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 43554689
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 46790194
N-(2-aminophenyl)-2-but-3-enoxypropanamide;hydrochloride
CID 119422818
N-(2-aminophenyl)-2-[(2-chlorophenyl)methoxy]propanamide
CID 43110228
N-(2-aminophenyl)-2-(2-butoxyethoxy)propanamide
CID 43127114

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoanilino)-1-oxopropan-2-yl] acetate?
The IUPAC name of [1-(2-aminoanilino)-1-oxopropan-2-yl] acetate (CID 167409598) is [1-(2-aminoanilino)-1-oxopropan-2-yl] acetate.
What is the SMILES notation for [1-(2-aminoanilino)-1-oxopropan-2-yl] acetate?
The canonical SMILES for [1-(2-aminoanilino)-1-oxopropan-2-yl] acetate is CC(=O)OC(C)C(=O)Nc1ccccc1N.
What is the InChIKey of [1-(2-aminoanilino)-1-oxopropan-2-yl] acetate?
The InChIKey is BYLHOTRSLUSUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7(16-8(2)14)11(15)13-10-6-4-3-5-9(10)12/h3-7H,12H2,1-2H3,(H,13,15).
What are the key properties of [1-(2-aminoanilino)-1-oxopropan-2-yl] acetate?
[1-(2-aminoanilino)-1-oxopropan-2-yl] acetate has a molecular weight of 222.24 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoanilino)-1-oxopropan-2-yl] acetate is sourced from PubChem (CID 167409598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).