2-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethoxy]acetic acid

C13H16N2O5 — CID 61329614

IUPAC2-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethoxy]acetic acid
SMILESCNC(=O)c1cccc(NC(=O)COCC(=O)O)c1C
InChIInChI=1S/C13H16N2O5/c1-8-9(13(19)14-2)4-3-5-10(8)15-11(16)6-20-7-12(17)18/h3-5H,6-7H2,1-2H3,(H,14,19)(H,15,16)(H,17,18)
InChIKeyBGEPVIDTNVZIFJ-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.39
Rot. Bonds6

About 2-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethoxy]acetic acid

2-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethoxy]acetic acid (PubChem CID 61329614) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethoxy]acetic acid
PubChem CID61329614
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethoxy]acetic acid
SMILESCNC(=O)c1cccc(NC(=O)COCC(=O)O)c1C
InChIInChI=1S/C13H16N2O5/c1-8-9(13(19)14-2)4-3-5-10(8)15-11(16)6-20-7-12(17)18/h3-5H,6-7H2,1-2H3,(H,14,19)(H,15,16)(H,17,18)
InChIKeyBGEPVIDTNVZIFJ-UHFFFAOYSA-N
XLogP0.39
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(carboxymethoxy)acetyl]amino]-2-methylbenzoic acid
CID 61327665
6-[2-methyl-3-(methylcarbamoyl)anilino]-6-oxohexanoic acid
CID 60940913
3-(4-hydroxypentanoylamino)-N,2-dimethylbenzamide
CID 79204866
2-[2-(2-ethoxycarbonylanilino)-2-oxoethoxy]acetic acid
CID 60662085
3-[3-(ethylamino)propanoylamino]-N,2-dimethylbenzamide
CID 62835659
2-hydroxyethyl N-[2-methyl-3-(methylcarbamoyl)phenyl]carbamate
CID 79346622
N,2-dimethyl-3-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide
CID 47029177
3-[(2-carboxyacetyl)amino]-2-methylbenzoic acid
CID 62231492
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-methylbenzamide
CID 17353983
2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid
CID 112602120
2-[2-[(2-methylquinolin-8-yl)amino]-2-oxoethoxy]acetic acid
CID 62954623
2-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]acetic acid
CID 60662463

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethoxy]acetic acid (CID 61329614) is 2-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethoxy]acetic acid is CNC(=O)c1cccc(NC(=O)COCC(=O)O)c1C.
What is the InChIKey of 2-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethoxy]acetic acid?
The InChIKey is BGEPVIDTNVZIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-8-9(13(19)14-2)4-3-5-10(8)15-11(16)6-20-7-12(17)18/h3-5H,6-7H2,1-2H3,(H,14,19)(H,15,16)(H,17,18).
What are the key properties of 2-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethoxy]acetic acid?
2-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethoxy]acetic acid has a molecular weight of 280.28 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61329614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).