methyl 2-(N-acetyl-3-aminoanilino)acetate

C11H14N2O3 — CID 68837946

IUPACmethyl 2-(N-acetyl-3-aminoanilino)acetate
SMILESCOC(=O)CN(C(C)=O)c1cccc(N)c1
InChIInChI=1S/C11H14N2O3/c1-8(14)13(7-11(15)16-2)10-5-3-4-9(12)6-10/h3-6H,7,12H2,1-2H3
InChIKeyYVLCDZSKWJXOAM-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.79
Rot. Bonds3

About methyl 2-(N-acetyl-3-aminoanilino)acetate

methyl 2-(N-acetyl-3-aminoanilino)acetate (PubChem CID 68837946) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 2-(N-acetyl-3-aminoanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(N-acetyl-3-aminoanilino)acetate
PubChem CID68837946
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl 2-(N-acetyl-3-aminoanilino)acetate
SMILESCOC(=O)CN(C(C)=O)c1cccc(N)c1
InChIInChI=1S/C11H14N2O3/c1-8(14)13(7-11(15)16-2)10-5-3-4-9(12)6-10/h3-6H,7,12H2,1-2H3
InChIKeyYVLCDZSKWJXOAM-UHFFFAOYSA-N
XLogP0.79
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 39423192
N-(3-aminophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 39357021
methyl 2-[(3-aminophenyl)-methylsulfamoyl]acetate
CID 54951895
methyl 2-(N-acetyl-4-acetyloxyanilino)acetate
CID 22630317
methyl 2-(N-acetyl-2-methylanilino)acetate
CID 20717630
ethyl 2-(N-acetyl-4-aminoanilino)acetate
CID 18005693
1-(3-aminophenyl)-3-ethyl-1-propylurea
CID 63230299
2-methylpropyl N-(3-aminophenyl)-N-ethylcarbamate
CID 63229674
N-(3-aminophenyl)-N-ethylbenzamide
CID 63229786
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 5323791
N-(3-aminophenyl)-4-methoxy-N-propylbenzamide
CID 63229900

Frequently Asked Questions

What is the IUPAC name of methyl 2-(N-acetyl-3-aminoanilino)acetate?
The IUPAC name of methyl 2-(N-acetyl-3-aminoanilino)acetate (CID 68837946) is methyl 2-(N-acetyl-3-aminoanilino)acetate.
What is the SMILES notation for methyl 2-(N-acetyl-3-aminoanilino)acetate?
The canonical SMILES for methyl 2-(N-acetyl-3-aminoanilino)acetate is COC(=O)CN(C(C)=O)c1cccc(N)c1.
What is the InChIKey of methyl 2-(N-acetyl-3-aminoanilino)acetate?
The InChIKey is YVLCDZSKWJXOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(14)13(7-11(15)16-2)10-5-3-4-9(12)6-10/h3-6H,7,12H2,1-2H3.
What are the key properties of methyl 2-(N-acetyl-3-aminoanilino)acetate?
methyl 2-(N-acetyl-3-aminoanilino)acetate has a molecular weight of 222.24 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N-acetyl-3-aminoanilino)acetate is sourced from PubChem (CID 68837946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).