2-[carboxymethyl-[(2,6-difluorophenyl)carbamoyl]amino]acetic acid

C11H10F2N2O5 — CID 63644934

IUPAC2-[carboxymethyl-[(2,6-difluorophenyl)carbamoyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C11H10F2N2O5/c12-6-2-1-3-7(13)10(6)14-11(20)15(4-8(16)17)5-9(18)19/h1-3H,4-5H2,(H,14,20)(H,16,17)(H,18,19)
InChIKeyNXHONHKGTVWCLE-UHFFFAOYSA-N
MW288.21 g/mol
LogP0.97
Rot. Bonds5

About 2-[carboxymethyl-[(2,6-difluorophenyl)carbamoyl]amino]acetic acid

2-[carboxymethyl-[(2,6-difluorophenyl)carbamoyl]amino]acetic acid (PubChem CID 63644934) has the molecular formula C11H10F2N2O5 and a molecular weight of 288.21 g/mol. Its IUPAC name is 2-[carboxymethyl-[(2,6-difluorophenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[(2,6-difluorophenyl)carbamoyl]amino]acetic acid
PubChem CID63644934
Molecular FormulaC11H10F2N2O5
Molecular Weight288.21 g/mol
Exact Mass288.06
IUPAC Name2-[carboxymethyl-[(2,6-difluorophenyl)carbamoyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C11H10F2N2O5/c12-6-2-1-3-7(13)10(6)14-11(20)15(4-8(16)17)5-9(18)19/h1-3H,4-5H2,(H,14,20)(H,16,17)(H,18,19)
InChIKeyNXHONHKGTVWCLE-UHFFFAOYSA-N
XLogP0.97
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[carboxymethyl-[(2,6-difluorophenyl)carbamoyl]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-[(2,6-difluorophenyl)carbamoyl-propylamino]acetic acid
CID 61195377
2-[(2,6-difluorophenyl)carbamoyl-prop-2-ynylamino]acetic acid
CID 79284756
3-(2,6-difluorophenyl)-1,1-dipropylurea
CID 108991003
2-[(2-bromo-4,6-difluorophenyl)carbamoyl-(carboxymethyl)amino]acetic acid
CID 63645609
2-[(2-amino-2-oxoethyl)-[(2-cyano-3-fluorophenyl)carbamoyl]amino]acetic acid
CID 107438042
2-[(2,6-difluoro-3-methylphenyl)carbamoyl-prop-2-enylamino]acetic acid
CID 82819343
2-[(2-bromo-6-fluorophenyl)carbamoyl-tert-butylamino]acetic acid
CID 107601936
1,1-dibenzyl-3-(2-chloro-6-fluorophenyl)urea
CID 108896524
2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008696
2-[carboxymethyl-[(4-chloro-2-fluorophenyl)carbamoyl]amino]acetic acid
CID 63645802
1-benzyl-1-(2-cyanoethyl)-3-(2,6-difluorophenyl)urea
CID 3325886
2-[carboxymethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid
CID 63644567

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[(2,6-difluorophenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[(2,6-difluorophenyl)carbamoyl]amino]acetic acid (CID 63644934) is 2-[carboxymethyl-[(2,6-difluorophenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[(2,6-difluorophenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[(2,6-difluorophenyl)carbamoyl]amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of 2-[carboxymethyl-[(2,6-difluorophenyl)carbamoyl]amino]acetic acid?
The InChIKey is NXHONHKGTVWCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O5/c12-6-2-1-3-7(13)10(6)14-11(20)15(4-8(16)17)5-9(18)19/h1-3H,4-5H2,(H,14,20)(H,16,17)(H,18,19).
What are the key properties of 2-[carboxymethyl-[(2,6-difluorophenyl)carbamoyl]amino]acetic acid?
2-[carboxymethyl-[(2,6-difluorophenyl)carbamoyl]amino]acetic acid has a molecular weight of 288.21 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[(2,6-difluorophenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 63644934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).