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

C11H9BrF2N2O5 — CID 63645609

IUPAC2-[(2-bromo-4,6-difluorophenyl)carbamoyl-(carboxymethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C11H9BrF2N2O5/c12-6-1-5(13)2-7(14)10(6)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)
InChIKeyRLRVPBPTIFZUHQ-UHFFFAOYSA-N
MW367.10 g/mol
LogP1.73
Rot. Bonds5

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

2-[(2-bromo-4,6-difluorophenyl)carbamoyl-(carboxymethyl)amino]acetic acid (PubChem CID 63645609) has the molecular formula C11H9BrF2N2O5 and a molecular weight of 367.10 g/mol. Its IUPAC name is 2-[(2-bromo-4,6-difluorophenyl)carbamoyl-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-bromo-4,6-difluorophenyl)carbamoyl-(carboxymethyl)amino]acetic acid
PubChem CID63645609
Molecular FormulaC11H9BrF2N2O5
Molecular Weight367.10 g/mol
Exact Mass365.97
IUPAC Name2-[(2-bromo-4,6-difluorophenyl)carbamoyl-(carboxymethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C11H9BrF2N2O5/c12-6-1-5(13)2-7(14)10(6)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)
InChIKeyRLRVPBPTIFZUHQ-UHFFFAOYSA-N
XLogP1.73
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.10
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(2-bromo-4,6-difluorophenyl)carbamoyl-(carboxymethyl)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-bromo-4,6-difluorophenyl)carbamoyl-butan-2-ylamino]acetic acid
CID 61196347
2-[(2-bromo-4,6-difluorophenyl)carbamoyl-methylamino]propanoic acid
CID 55097025
2-[carboxymethyl-[(2,6-difluorophenyl)carbamoyl]amino]acetic acid
CID 63644934
2-[(2-chloro-4,6-difluorophenyl)carbamoyl-propylamino]acetic acid
CID 83087251
(2-bromo-4,6-difluorophenyl)urea
CID 43347715
2-[[2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl]-(2-methoxyethyl)amino]acetic acid
CID 91645749
2-[(2-chloro-4,6-difluorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 83074600
N-(2-bromo-4,6-difluorophenyl)-2,2,2-trifluoroacetamide
CID 17068588
2-[carboxymethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid
CID 63644567
2-[(4-bromo-3-fluorophenyl)carbamoyl-propylamino]acetic acid
CID 65437389
N-(2-bromo-4,6-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 111519510
2-[2-[(2-bromo-4,6-difluorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79464283

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4,6-difluorophenyl)carbamoyl-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[(2-bromo-4,6-difluorophenyl)carbamoyl-(carboxymethyl)amino]acetic acid (CID 63645609) is 2-[(2-bromo-4,6-difluorophenyl)carbamoyl-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-bromo-4,6-difluorophenyl)carbamoyl-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-bromo-4,6-difluorophenyl)carbamoyl-(carboxymethyl)amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of 2-[(2-bromo-4,6-difluorophenyl)carbamoyl-(carboxymethyl)amino]acetic acid?
The InChIKey is RLRVPBPTIFZUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF2N2O5/c12-6-1-5(13)2-7(14)10(6)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-[(2-bromo-4,6-difluorophenyl)carbamoyl-(carboxymethyl)amino]acetic acid?
2-[(2-bromo-4,6-difluorophenyl)carbamoyl-(carboxymethyl)amino]acetic acid has a molecular weight of 367.10 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4,6-difluorophenyl)carbamoyl-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 63645609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).