2-[(4-bromo-2,6-difluorophenyl)carbamoylamino]-3-methoxypropanoic acid

C11H11BrF2N2O4 — CID 81080994

IUPAC2-[(4-bromo-2,6-difluorophenyl)carbamoylamino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)Nc1c(F)cc(Br)cc1F)C(=O)O
InChIInChI=1S/C11H11BrF2N2O4/c1-20-4-8(10(17)18)15-11(19)16-9-6(13)2-5(12)3-7(9)14/h2-3,8H,4H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyYEEUFFYGAZATGR-UHFFFAOYSA-N
MW353.12 g/mol
LogP1.95
Rot. Bonds5

About 2-[(4-bromo-2,6-difluorophenyl)carbamoylamino]-3-methoxypropanoic acid

2-[(4-bromo-2,6-difluorophenyl)carbamoylamino]-3-methoxypropanoic acid (PubChem CID 81080994) has the molecular formula C11H11BrF2N2O4 and a molecular weight of 353.12 g/mol. Its IUPAC name is 2-[(4-bromo-2,6-difluorophenyl)carbamoylamino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(4-bromo-2,6-difluorophenyl)carbamoylamino]-3-methoxypropanoic acid
PubChem CID81080994
Molecular FormulaC11H11BrF2N2O4
Molecular Weight353.12 g/mol
Exact Mass351.99
IUPAC Name2-[(4-bromo-2,6-difluorophenyl)carbamoylamino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)Nc1c(F)cc(Br)cc1F)C(=O)O
InChIInChI=1S/C11H11BrF2N2O4/c1-20-4-8(10(17)18)15-11(19)16-9-6(13)2-5(12)3-7(9)14/h2-3,8H,4H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyYEEUFFYGAZATGR-UHFFFAOYSA-N
XLogP1.95
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.12
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(4-bromo-2,6-difluorophenyl)carbamoylamino]-3-methoxypropanoic 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-amino-N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide
CID 81101709
2-[(2-bromo-4,6-difluorophenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62480250
2-[(2-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81076673
2-[(5-bromo-2-chlorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81081569
2-[(3-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81077248
2-[(4-bromo-3-methylphenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81084105
2-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81084747
N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide
CID 65498940
2-[(4-bromobenzoyl)amino]-3-methoxypropanoic acid
CID 81076799
2-[(2-aminophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81084615
2-(3-bromo-5-methylanilino)-3-methoxypropanoic acid
CID 107584256
3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methoxypropanamide
CID 114145118

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2,6-difluorophenyl)carbamoylamino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(4-bromo-2,6-difluorophenyl)carbamoylamino]-3-methoxypropanoic acid (CID 81080994) is 2-[(4-bromo-2,6-difluorophenyl)carbamoylamino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(4-bromo-2,6-difluorophenyl)carbamoylamino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(4-bromo-2,6-difluorophenyl)carbamoylamino]-3-methoxypropanoic acid is COCC(NC(=O)Nc1c(F)cc(Br)cc1F)C(=O)O.
What is the InChIKey of 2-[(4-bromo-2,6-difluorophenyl)carbamoylamino]-3-methoxypropanoic acid?
The InChIKey is YEEUFFYGAZATGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2N2O4/c1-20-4-8(10(17)18)15-11(19)16-9-6(13)2-5(12)3-7(9)14/h2-3,8H,4H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(4-bromo-2,6-difluorophenyl)carbamoylamino]-3-methoxypropanoic acid?
2-[(4-bromo-2,6-difluorophenyl)carbamoylamino]-3-methoxypropanoic acid has a molecular weight of 353.12 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2,6-difluorophenyl)carbamoylamino]-3-methoxypropanoic acid is sourced from PubChem (CID 81080994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).