2-[carboxymethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid

C13H16N2O6 — CID 63644464

IUPAC2-[carboxymethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid
SMILESCOc1ccc(N(C)C(=O)N(CC(=O)O)CC(=O)O)cc1
InChIInChI=1S/C13H16N2O6/c1-14(9-3-5-10(21-2)6-4-9)13(20)15(7-11(16)17)8-12(18)19/h3-6H,7-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyOEZISGXWMXXFCI-UHFFFAOYSA-N
MW296.28 g/mol
LogP0.72
Rot. Bonds6

About 2-[carboxymethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid

2-[carboxymethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid (PubChem CID 63644464) has the molecular formula C13H16N2O6 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-[carboxymethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid
PubChem CID63644464
Molecular FormulaC13H16N2O6
Molecular Weight296.28 g/mol
Exact Mass296.10
IUPAC Name2-[carboxymethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid
SMILESCOc1ccc(N(C)C(=O)N(CC(=O)O)CC(=O)O)cc1
InChIInChI=1S/C13H16N2O6/c1-14(9-3-5-10(21-2)6-4-9)13(20)15(7-11(16)17)8-12(18)19/h3-6H,7-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyOEZISGXWMXXFCI-UHFFFAOYSA-N
XLogP0.72
TPSA107.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[carboxymethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid
CID 62002689
(4-methoxyphenyl)-methylcarbamic acid
CID 22047987
2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 4712243
2-chloro-N-(4-methoxyphenyl)-N-methylacetamide
CID 4714233
2-[[methyl(phenyl)carbamoyl]-propylamino]acetic acid
CID 55133981
2-[(4-methoxyphenyl)-methylcarbamoyl]butanoic acid
CID 115185896
1-(4-methoxyphenyl)-3-methyl-3-phenyl-1-[(Z)-1-phenylprop-1-enyl]urea
CID 102415946
2-[N-(2,2-dimethylpropanoyl)-4-methoxyanilino]acetic acid
CID 28765944
1-(4-methoxyphenyl)-1,3-dimethylurea
CID 116655338
3-[[(4-methoxyphenyl)-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 64699727
2-(N-butanoyl-4-methoxyanilino)acetic acid
CID 28765925
2-[carboxymethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]acetic acid
CID 63651913

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid (CID 63644464) is 2-[carboxymethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid is COc1ccc(N(C)C(=O)N(CC(=O)O)CC(=O)O)cc1.
What is the InChIKey of 2-[carboxymethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid?
The InChIKey is OEZISGXWMXXFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O6/c1-14(9-3-5-10(21-2)6-4-9)13(20)15(7-11(16)17)8-12(18)19/h3-6H,7-8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[carboxymethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid?
2-[carboxymethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid has a molecular weight of 296.28 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 63644464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).