2-[carboxymethyl-[(2,4,6-trichlorophenyl)carbamoyl]amino]acetic acid

C11H9Cl3N2O5 — CID 63646935

IUPAC2-[carboxymethyl-[(2,4,6-trichlorophenyl)carbamoyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H9Cl3N2O5/c12-5-1-6(13)10(7(14)2-5)15-11(21)16(3-8(17)18)4-9(19)20/h1-2H,3-4H2,(H,15,21)(H,17,18)(H,19,20)
InChIKeyFXFNGJSOUQNAFY-UHFFFAOYSA-N
MW355.56 g/mol
LogP2.65
Rot. Bonds5

About 2-[carboxymethyl-[(2,4,6-trichlorophenyl)carbamoyl]amino]acetic acid

2-[carboxymethyl-[(2,4,6-trichlorophenyl)carbamoyl]amino]acetic acid (PubChem CID 63646935) has the molecular formula C11H9Cl3N2O5 and a molecular weight of 355.56 g/mol. Its IUPAC name is 2-[carboxymethyl-[(2,4,6-trichlorophenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[(2,4,6-trichlorophenyl)carbamoyl]amino]acetic acid
PubChem CID63646935
Molecular FormulaC11H9Cl3N2O5
Molecular Weight355.56 g/mol
Exact Mass353.96
IUPAC Name2-[carboxymethyl-[(2,4,6-trichlorophenyl)carbamoyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H9Cl3N2O5/c12-5-1-6(13)10(7(14)2-5)15-11(21)16(3-8(17)18)4-9(19)20/h1-2H,3-4H2,(H,15,21)(H,17,18)(H,19,20)
InChIKeyFXFNGJSOUQNAFY-UHFFFAOYSA-N
XLogP2.65
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.56
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid
CID 63644567
2-[carboxymethyl-[(4-chloro-2-fluorophenyl)carbamoyl]amino]acetic acid
CID 63645802
2-[(2-chloro-4,6-difluorophenyl)carbamoyl-propylamino]acetic acid
CID 83087251
2-[bis(prop-2-enyl)carbamoylamino]-3,5-dichlorobenzoic acid
CID 61193637
2-[carboxymethyl-[(2,6-difluorophenyl)carbamoyl]amino]acetic acid
CID 63644934
2-[(2-chloro-4,6-difluorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 83074600
2-(2,4,6-trichloroanilino)acetic acid
CID 28992701
2-[(2-bromo-4,6-difluorophenyl)carbamoyl-(carboxymethyl)amino]acetic acid
CID 63645609
2-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid
CID 61183574
2-[(3,5-dichloro-4-fluorophenyl)carbamoyl-ethylamino]acetic acid
CID 107576369
2-[2-hydroxyethyl(methyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 60683836
2-[(4-bromo-2,6-dimethylphenyl)carbamoyl-ethylamino]acetic acid
CID 61192108

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[(2,4,6-trichlorophenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[(2,4,6-trichlorophenyl)carbamoyl]amino]acetic acid (CID 63646935) is 2-[carboxymethyl-[(2,4,6-trichlorophenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[(2,4,6-trichlorophenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[(2,4,6-trichlorophenyl)carbamoyl]amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-[carboxymethyl-[(2,4,6-trichlorophenyl)carbamoyl]amino]acetic acid?
The InChIKey is FXFNGJSOUQNAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3N2O5/c12-5-1-6(13)10(7(14)2-5)15-11(21)16(3-8(17)18)4-9(19)20/h1-2H,3-4H2,(H,15,21)(H,17,18)(H,19,20).
What are the key properties of 2-[carboxymethyl-[(2,4,6-trichlorophenyl)carbamoyl]amino]acetic acid?
2-[carboxymethyl-[(2,4,6-trichlorophenyl)carbamoyl]amino]acetic acid has a molecular weight of 355.56 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[(2,4,6-trichlorophenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 63646935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).