2-[[2-(4-methoxyanilino)-2-oxoacetyl]-methylamino]acetic acid

C12H14N2O5 — CID 21204128

IUPAC2-[[2-(4-methoxyanilino)-2-oxoacetyl]-methylamino]acetic acid
SMILESCOc1ccc(NC(=O)C(=O)N(C)CC(=O)O)cc1
InChIInChI=1S/C12H14N2O5/c1-14(7-10(15)16)12(18)11(17)13-8-3-5-9(19-2)6-4-8/h3-6H,7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyDEYLCWKOZZPYDA-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.18
Rot. Bonds4

About 2-[[2-(4-methoxyanilino)-2-oxoacetyl]-methylamino]acetic acid

2-[[2-(4-methoxyanilino)-2-oxoacetyl]-methylamino]acetic acid (PubChem CID 21204128) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-[[2-(4-methoxyanilino)-2-oxoacetyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-methoxyanilino)-2-oxoacetyl]-methylamino]acetic acid
PubChem CID21204128
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name2-[[2-(4-methoxyanilino)-2-oxoacetyl]-methylamino]acetic acid
SMILESCOc1ccc(NC(=O)C(=O)N(C)CC(=O)O)cc1
InChIInChI=1S/C12H14N2O5/c1-14(7-10(15)16)12(18)11(17)13-8-3-5-9(19-2)6-4-8/h3-6H,7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyDEYLCWKOZZPYDA-UHFFFAOYSA-N
XLogP0.18
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyanilino)-2-oxoacetic acid
CID 4962374
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide
CID 134218618
2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 4712243
2-[(4-ethoxyphenyl)carbamoyl-methylamino]acetic acid
CID 43318374
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethylbutanamide
CID 9438619
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
1,3-bis(4-methoxyphenyl)urea
CID 139045428
copper bis(2-(4-methoxyanilino)-2-oxoacetate)
CID 52913680
N-(4-ethoxyphenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide
CID 108514458
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333
2-chloro-N-(4-methoxyphenyl)prop-2-enamide
CID 29979

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyanilino)-2-oxoacetyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(4-methoxyanilino)-2-oxoacetyl]-methylamino]acetic acid (CID 21204128) is 2-[[2-(4-methoxyanilino)-2-oxoacetyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(4-methoxyanilino)-2-oxoacetyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(4-methoxyanilino)-2-oxoacetyl]-methylamino]acetic acid is COc1ccc(NC(=O)C(=O)N(C)CC(=O)O)cc1.
What is the InChIKey of 2-[[2-(4-methoxyanilino)-2-oxoacetyl]-methylamino]acetic acid?
The InChIKey is DEYLCWKOZZPYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-14(7-10(15)16)12(18)11(17)13-8-3-5-9(19-2)6-4-8/h3-6H,7H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-[[2-(4-methoxyanilino)-2-oxoacetyl]-methylamino]acetic acid?
2-[[2-(4-methoxyanilino)-2-oxoacetyl]-methylamino]acetic acid has a molecular weight of 266.25 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyanilino)-2-oxoacetyl]-methylamino]acetic acid is sourced from PubChem (CID 21204128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).