2-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethoxy]acetic acid

C12H14N2O6 — CID 61328482

IUPAC2-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
SMILESCOc1ccc(NC(=O)NC(=O)COCC(=O)O)cc1
InChIInChI=1S/C12H14N2O6/c1-19-9-4-2-8(3-5-9)13-12(18)14-10(15)6-20-7-11(16)17/h2-5H,6-7H2,1H3,(H,16,17)(H2,13,14,15,18)
InChIKeyZPRMKTDPSURTRI-UHFFFAOYSA-N
MW282.25 g/mol
LogP0.44
Rot. Bonds6

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

2-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethoxy]acetic acid (PubChem CID 61328482) has the molecular formula C12H14N2O6 and a molecular weight of 282.25 g/mol. Its IUPAC name is 2-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
PubChem CID61328482
Molecular FormulaC12H14N2O6
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Name2-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
SMILESCOc1ccc(NC(=O)NC(=O)COCC(=O)O)cc1
InChIInChI=1S/C12H14N2O6/c1-19-9-4-2-8(3-5-9)13-12(18)14-10(15)6-20-7-11(16)17/h2-5H,6-7H2,1H3,(H,16,17)(H2,13,14,15,18)
InChIKeyZPRMKTDPSURTRI-UHFFFAOYSA-N
XLogP0.44
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(4-ethylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61328874
2-[2-[(4-methoxy-2-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 62871537
1,3-bis(4-methoxyphenyl)urea
CID 139045428
2-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61326948
2-[2-[(2-methoxycarbonylthiophen-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61329440
2-[2-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid
CID 118717501
4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 62043312
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 31143401
6-(4-methoxyanilino)-6-oxohexanoic acid
CID 19422065
[(4-methoxyphenyl)carbamoylamino] propanoate
CID 57108481
1-(diethylcarbamothioyl)-3-(4-methoxyphenyl)urea
CID 3763474

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethoxy]acetic acid (CID 61328482) is 2-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethoxy]acetic acid is COc1ccc(NC(=O)NC(=O)COCC(=O)O)cc1.
What is the InChIKey of 2-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The InChIKey is ZPRMKTDPSURTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O6/c1-19-9-4-2-8(3-5-9)13-12(18)14-10(15)6-20-7-11(16)17/h2-5H,6-7H2,1H3,(H,16,17)(H2,13,14,15,18).
What are the key properties of 2-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethoxy]acetic acid?
2-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethoxy]acetic acid has a molecular weight of 282.25 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61328482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).