2-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid

C13H16N2O6 — CID 61326948

IUPAC2-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
SMILESCOc1ccc(C)cc1NC(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C13H16N2O6/c1-8-3-4-10(20-2)9(5-8)14-13(19)15-11(16)6-21-7-12(17)18/h3-5H,6-7H2,1-2H3,(H,17,18)(H2,14,15,16,19)
InChIKeyBUYXXXFKVSTAKW-UHFFFAOYSA-N
MW296.28 g/mol
LogP0.75
Rot. Bonds6

About 2-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid

2-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid (PubChem CID 61326948) has the molecular formula C13H16N2O6 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
PubChem CID61326948
Molecular FormulaC13H16N2O6
Molecular Weight296.28 g/mol
Exact Mass296.10
IUPAC Name2-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
SMILESCOc1ccc(C)cc1NC(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C13H16N2O6/c1-8-3-4-10(20-2)9(5-8)14-13(19)15-11(16)6-21-7-12(17)18/h3-5H,6-7H2,1-2H3,(H,17,18)(H2,14,15,16,19)
InChIKeyBUYXXXFKVSTAKW-UHFFFAOYSA-N
XLogP0.75
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 28746072
2-[2-(2-methoxy-4-methylanilino)-2-oxoethoxy]acetic acid
CID 61328811
2-[2-[(4-methoxy-2-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 62871537
1-[(2-methoxyacetyl)amino]-3-(2-methoxy-5-methylphenyl)urea
CID 2206228
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
4-[(2,5-dimethoxyphenyl)carbamoylamino]-4-oxobutanoic acid
CID 28746034
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
1-(2-methoxy-5-methylphenyl)-3-[(2-phenylacetyl)amino]urea
CID 4516972
1-(4-hydroxy-2-phenylbutyl)-3-(2-methoxy-5-methylphenyl)urea
CID 111452697
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid (CID 61326948) is 2-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid is COc1ccc(C)cc1NC(=O)NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The InChIKey is BUYXXXFKVSTAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O6/c1-8-3-4-10(20-2)9(5-8)14-13(19)15-11(16)6-21-7-12(17)18/h3-5H,6-7H2,1-2H3,(H,17,18)(H2,14,15,16,19).
What are the key properties of 2-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid?
2-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid has a molecular weight of 296.28 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61326948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).