methyl 2-[(4-aminobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate

C13H16N2O5 — CID 62952978

IUPACmethyl 2-[(4-aminobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)c1ccc(N)cc1
InChIInChI=1S/C13H16N2O5/c1-19-11(16)7-15(8-12(17)20-2)13(18)9-3-5-10(14)6-4-9/h3-6H,7-8,14H2,1-2H3
InChIKeyQFTKXVLHTKTQHV-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.06
Rot. Bonds5

About methyl 2-[(4-aminobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[(4-aminobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 62952978) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is methyl 2-[(4-aminobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-aminobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID62952978
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Namemethyl 2-[(4-aminobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)c1ccc(N)cc1
InChIInChI=1S/C13H16N2O5/c1-19-11(16)7-15(8-12(17)20-2)13(18)9-3-5-10(14)6-4-9/h3-6H,7-8,14H2,1-2H3
InChIKeyQFTKXVLHTKTQHV-UHFFFAOYSA-N
XLogP0.06
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115532929
methyl 2-[(5-amino-2-bromobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62956423
methyl 2-[benzoyl(ethyl)amino]acetate
CID 57002755
methyl 2-[(2-methoxy-2-oxoethyl)-(6-methylpyridine-3-carbonyl)amino]acetate
CID 62952960
methyl 2-[ethyl-[4-(methylsulfonylmethyl)benzoyl]amino]acetate
CID 61383449
methyl 2-[ethyl-(4-methylsulfanylbenzoyl)amino]acetate
CID 54979363
methyl 2-[(6-fluoropyridine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 63979190
methyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955213
methyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate
CID 54998119
methyl 2-[(3-methoxybenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952792
methyl 2-[(4-amino-3-methoxybenzoyl)-propylamino]acetate
CID 104782582
methyl 2-[(4-cyanobenzoyl)-propylamino]acetate
CID 60766494

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-aminobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(4-aminobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate (CID 62952978) is methyl 2-[(4-aminobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(4-aminobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(4-aminobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)C(=O)c1ccc(N)cc1.
What is the InChIKey of methyl 2-[(4-aminobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is QFTKXVLHTKTQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-19-11(16)7-15(8-12(17)20-2)13(18)9-3-5-10(14)6-4-9/h3-6H,7-8,14H2,1-2H3.
What are the key properties of methyl 2-[(4-aminobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(4-aminobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 280.28 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-aminobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 62952978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).