2-[(4-fluoro-3-methylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid

C13H17FN2O4 — CID 79271553

IUPAC2-[(4-fluoro-3-methylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)Nc1ccc(F)c(C)c1
InChIInChI=1S/C13H17FN2O4/c1-9-7-10(3-4-11(9)14)15-13(19)16(5-6-20-2)8-12(17)18/h3-4,7H,5-6,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyJXDOZJQMKPTHEZ-UHFFFAOYSA-N
MW284.29 g/mol
LogP1.70
Rot. Bonds6

About 2-[(4-fluoro-3-methylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid

2-[(4-fluoro-3-methylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid (PubChem CID 79271553) has the molecular formula C13H17FN2O4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[(4-fluoro-3-methylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-fluoro-3-methylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
PubChem CID79271553
Molecular FormulaC13H17FN2O4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name2-[(4-fluoro-3-methylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)Nc1ccc(F)c(C)c1
InChIInChI=1S/C13H17FN2O4/c1-9-7-10(3-4-11(9)14)15-13(19)16(5-6-20-2)8-12(17)18/h3-4,7H,5-6,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyJXDOZJQMKPTHEZ-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]acetic acid
CID 62813606
2-[(3,5-dichloro-4-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 107576404
3-(3-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 111431069
2-[(4-carbamoylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271811
2-[2-methoxyethyl(thiophen-3-ylcarbamoyl)amino]acetic acid
CID 79282464
2-[carboxymethyl-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 63645091
2-fluoro-5-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]benzoic acid
CID 103339889
2-[(4-bromo-3-fluorophenyl)carbamoyl-propylamino]acetic acid
CID 65437389
1-(2-hydroxyethyl)-1-(2-methoxyethyl)-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 111473504
2-[(5-chloro-2-cyanophenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272026
2-[(4-fluoro-3-methoxyphenyl)carbamoyl-prop-2-enylamino]acetic acid
CID 114840318
3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 115608745

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-methylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(4-fluoro-3-methylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid (CID 79271553) is 2-[(4-fluoro-3-methylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-fluoro-3-methylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-fluoro-3-methylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)Nc1ccc(F)c(C)c1.
What is the InChIKey of 2-[(4-fluoro-3-methylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid?
The InChIKey is JXDOZJQMKPTHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4/c1-9-7-10(3-4-11(9)14)15-13(19)16(5-6-20-2)8-12(17)18/h3-4,7H,5-6,8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(4-fluoro-3-methylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid?
2-[(4-fluoro-3-methylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid has a molecular weight of 284.29 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-3-methylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 79271553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).