2-[carboxymethyl-[(4-chloro-2-fluorophenyl)carbamoyl]amino]acetic acid

C11H10ClFN2O5 — CID 63645802

IUPAC2-[carboxymethyl-[(4-chloro-2-fluorophenyl)carbamoyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C11H10ClFN2O5/c12-6-1-2-8(7(13)3-6)14-11(20)15(4-9(16)17)5-10(18)19/h1-3H,4-5H2,(H,14,20)(H,16,17)(H,18,19)
InChIKeyGQEJYDWMUHKDLB-UHFFFAOYSA-N
MW304.66 g/mol
LogP1.48
Rot. Bonds5

About 2-[carboxymethyl-[(4-chloro-2-fluorophenyl)carbamoyl]amino]acetic acid

2-[carboxymethyl-[(4-chloro-2-fluorophenyl)carbamoyl]amino]acetic acid (PubChem CID 63645802) has the molecular formula C11H10ClFN2O5 and a molecular weight of 304.66 g/mol. Its IUPAC name is 2-[carboxymethyl-[(4-chloro-2-fluorophenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[(4-chloro-2-fluorophenyl)carbamoyl]amino]acetic acid
PubChem CID63645802
Molecular FormulaC11H10ClFN2O5
Molecular Weight304.66 g/mol
Exact Mass304.03
IUPAC Name2-[carboxymethyl-[(4-chloro-2-fluorophenyl)carbamoyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C11H10ClFN2O5/c12-6-1-2-8(7(13)3-6)14-11(20)15(4-9(16)17)5-10(18)19/h1-3H,4-5H2,(H,14,20)(H,16,17)(H,18,19)
InChIKeyGQEJYDWMUHKDLB-UHFFFAOYSA-N
XLogP1.48
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.66
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloro-2-fluorophenyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79277035
2-[(2,4-difluorophenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265443
2-[(2-amino-2-oxoethyl)-[(2,3,4-trifluorophenyl)carbamoyl]amino]acetic acid
CID 107437408
2-[(2,4-difluorophenyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79264322
3-(4-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423865
2-[butan-2-yl-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 60834067
2-[ethyl-[(2,4,5-trifluorophenyl)carbamoyl]amino]acetic acid
CID 62809193
2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656888
N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride
CID 142696618
2-[carboxymethyl-[(2,4,6-trichlorophenyl)carbamoyl]amino]acetic acid
CID 63646935
2-[carboxymethyl-[(2,6-difluorophenyl)carbamoyl]amino]acetic acid
CID 63644934
2-[(2-chloro-4-fluorophenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63065952

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[(4-chloro-2-fluorophenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[(4-chloro-2-fluorophenyl)carbamoyl]amino]acetic acid (CID 63645802) is 2-[carboxymethyl-[(4-chloro-2-fluorophenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[(4-chloro-2-fluorophenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[(4-chloro-2-fluorophenyl)carbamoyl]amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of 2-[carboxymethyl-[(4-chloro-2-fluorophenyl)carbamoyl]amino]acetic acid?
The InChIKey is GQEJYDWMUHKDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O5/c12-6-1-2-8(7(13)3-6)14-11(20)15(4-9(16)17)5-10(18)19/h1-3H,4-5H2,(H,14,20)(H,16,17)(H,18,19).
What are the key properties of 2-[carboxymethyl-[(4-chloro-2-fluorophenyl)carbamoyl]amino]acetic acid?
2-[carboxymethyl-[(4-chloro-2-fluorophenyl)carbamoyl]amino]acetic acid has a molecular weight of 304.66 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[(4-chloro-2-fluorophenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 63645802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).