2-[[2-(4-acetylanilino)-2-oxoethyl]-methylamino]acetic acid

C13H16N2O4 — CID 43442578

IUPAC2-[[2-(4-acetylanilino)-2-oxoethyl]-methylamino]acetic acid
SMILESCC(=O)c1ccc(NC(=O)CN(C)CC(=O)O)cc1
InChIInChI=1S/C13H16N2O4/c1-9(16)10-3-5-11(6-4-10)14-12(17)7-15(2)8-13(18)19/h3-6H,7-8H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyIMRWSHTXPBMALD-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.84
Rot. Bonds6

About 2-[[2-(4-acetylanilino)-2-oxoethyl]-methylamino]acetic acid

2-[[2-(4-acetylanilino)-2-oxoethyl]-methylamino]acetic acid (PubChem CID 43442578) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[[2-(4-acetylanilino)-2-oxoethyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-acetylanilino)-2-oxoethyl]-methylamino]acetic acid
PubChem CID43442578
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[[2-(4-acetylanilino)-2-oxoethyl]-methylamino]acetic acid
SMILESCC(=O)c1ccc(NC(=O)CN(C)CC(=O)O)cc1
InChIInChI=1S/C13H16N2O4/c1-9(16)10-3-5-11(6-4-10)14-12(17)7-15(2)8-13(18)19/h3-6H,7-8H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyIMRWSHTXPBMALD-UHFFFAOYSA-N
XLogP0.84
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167165
2-[[2-(4-bromoanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442287
N-(4-acetylphenyl)-2-[2-aminoethyl(methyl)amino]acetamide
CID 62686648
N-(4-acetylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 9105977
N-(4-acetylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 8797842
N-(4-acetylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057922
N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
CID 108956176
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442693
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
N-(4-acetylphenyl)-3,3,3-trifluoropropanamide
CID 24695395
N-(4-acetylphenyl)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetamide;oxalic acid
CID 17401843
N-(4-acetylphenyl)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetamide
CID 8746036

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-acetylanilino)-2-oxoethyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(4-acetylanilino)-2-oxoethyl]-methylamino]acetic acid (CID 43442578) is 2-[[2-(4-acetylanilino)-2-oxoethyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(4-acetylanilino)-2-oxoethyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(4-acetylanilino)-2-oxoethyl]-methylamino]acetic acid is CC(=O)c1ccc(NC(=O)CN(C)CC(=O)O)cc1.
What is the InChIKey of 2-[[2-(4-acetylanilino)-2-oxoethyl]-methylamino]acetic acid?
The InChIKey is IMRWSHTXPBMALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-9(16)10-3-5-11(6-4-10)14-12(17)7-15(2)8-13(18)19/h3-6H,7-8H2,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 2-[[2-(4-acetylanilino)-2-oxoethyl]-methylamino]acetic acid?
2-[[2-(4-acetylanilino)-2-oxoethyl]-methylamino]acetic acid has a molecular weight of 264.28 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-acetylanilino)-2-oxoethyl]-methylamino]acetic acid is sourced from PubChem (CID 43442578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).