2-[2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]-2-oxoethoxy]acetic acid

C13H16N2O6 — CID 62002291

IUPAC2-[2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]-2-oxoethoxy]acetic acid
SMILESCOc1ccccc1N(C)C(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C13H16N2O6/c1-15(9-5-3-4-6-10(9)20-2)13(19)14-11(16)7-21-8-12(17)18/h3-6H,7-8H2,1-2H3,(H,17,18)(H,14,16,19)
InChIKeyCAEWOEDCEAMWFL-UHFFFAOYSA-N
MW296.28 g/mol
LogP0.47
Rot. Bonds6

About 2-[2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]-2-oxoethoxy]acetic acid

2-[2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]-2-oxoethoxy]acetic acid (PubChem CID 62002291) has the molecular formula C13H16N2O6 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-[2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]-2-oxoethoxy]acetic acid
PubChem CID62002291
Molecular FormulaC13H16N2O6
Molecular Weight296.28 g/mol
Exact Mass296.10
IUPAC Name2-[2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]-2-oxoethoxy]acetic acid
SMILESCOc1ccccc1N(C)C(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C13H16N2O6/c1-15(9-5-3-4-6-10(9)20-2)13(19)14-11(16)7-21-8-12(17)18/h3-6H,7-8H2,1-2H3,(H,17,18)(H,14,16,19)
InChIKeyCAEWOEDCEAMWFL-UHFFFAOYSA-N
XLogP0.47
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-(dimethylamino)anilino]-2-oxoethoxy]acetic acid
CID 61326887
2-ethyl-2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid
CID 79815181
(2S)-2-hydroxy-4-[[(2-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid
CID 107839522
2-(2-methoxy-N-methylanilino)-N-phenylacetamide
CID 47280952
N-(2-methoxyphenyl)-N-methyl-3-oxopentanamide
CID 59676019
(1S,6R)-6-[(2-methoxyphenyl)-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962350
3-amino-N-(2-methoxyphenyl)-N-methylpropanamide
CID 28795107
1-(2-methoxyphenyl)-1-methyl-3-phenylthiourea
CID 115587806
2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
CID 63114798
3-(3-aminophenyl)-1-(2-methoxyphenyl)-1-methylurea
CID 62003425
2-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61326948
2-[2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
CID 61327143

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]-2-oxoethoxy]acetic acid (CID 62002291) is 2-[2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]-2-oxoethoxy]acetic acid is COc1ccccc1N(C)C(=O)NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]-2-oxoethoxy]acetic acid?
The InChIKey is CAEWOEDCEAMWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O6/c1-15(9-5-3-4-6-10(9)20-2)13(19)14-11(16)7-21-8-12(17)18/h3-6H,7-8H2,1-2H3,(H,17,18)(H,14,16,19).
What are the key properties of 2-[2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]-2-oxoethoxy]acetic acid?
2-[2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]-2-oxoethoxy]acetic acid has a molecular weight of 296.28 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 62002291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).