2-[2-[(4-methoxy-2-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid

C13H16N2O6 — CID 62871537

IUPAC2-[2-[(4-methoxy-2-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
SMILESCOc1ccc(NC(=O)NC(=O)COCC(=O)O)c(C)c1
InChIInChI=1S/C13H16N2O6/c1-8-5-9(20-2)3-4-10(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)
InChIKeyCHPUFOZMDCXTBW-UHFFFAOYSA-N
MW296.28 g/mol
LogP0.75
Rot. Bonds6

About 2-[2-[(4-methoxy-2-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid

2-[2-[(4-methoxy-2-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid (PubChem CID 62871537) has the molecular formula C13H16N2O6 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-[2-[(4-methoxy-2-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-methoxy-2-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
PubChem CID62871537
Molecular FormulaC13H16N2O6
Molecular Weight296.28 g/mol
Exact Mass296.10
IUPAC Name2-[2-[(4-methoxy-2-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
SMILESCOc1ccc(NC(=O)NC(=O)COCC(=O)O)c(C)c1
InChIInChI=1S/C13H16N2O6/c1-8-5-9(20-2)3-4-10(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)
InChIKeyCHPUFOZMDCXTBW-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

2-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61328482
2-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61326948
2-[[2-[(4-methoxy-2-methylphenyl)carbamoylamino]acetyl]amino]acetic acid
CID 62871905
2-methoxy-N-(4-methoxy-2-methylphenyl)acetamide
CID 62948733
N-(4-methoxy-2-methylphenyl)-2-propoxyacetamide
CID 113230378
1-amino-3-(4-methoxy-2-methylphenyl)urea
CID 62872642
2-(2-hydroxyphenyl)-N-(4-methoxy-2-methylphenyl)acetamide
CID 78919759
N-(4-methoxy-2-methylphenyl)-3-oxobutanamide
CID 20565334
2-[2-[(2-methoxycarbonylthiophen-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61329440
2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]acetic acid
CID 60708310
1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
CID 115606016
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methoxy-2-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-methoxy-2-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid (CID 62871537) is 2-[2-[(4-methoxy-2-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-methoxy-2-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-methoxy-2-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid is COc1ccc(NC(=O)NC(=O)COCC(=O)O)c(C)c1.
What is the InChIKey of 2-[2-[(4-methoxy-2-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The InChIKey is CHPUFOZMDCXTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O6/c1-8-5-9(20-2)3-4-10(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-[(4-methoxy-2-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid?
2-[2-[(4-methoxy-2-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-[(4-methoxy-2-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 62871537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).