[(2R)-1-amino-1-oxopropan-2-yl] 2-bromo-5-fluorobenzoate

C10H9BrFNO3 — CID 8987333

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] 2-bromo-5-fluorobenzoate
SMILESC[C@@H](OC(=O)c1cc(F)ccc1Br)C(N)=O
InChIInChI=1S/C10H9BrFNO3/c1-5(9(13)14)16-10(15)7-4-6(12)2-3-8(7)11/h2-5H,1H3,(H2,13,14)/t5-/m1/s1
InChIKeyWMPJJKBWXIKUAC-RXMQYKEDSA-N
MW290.09 g/mol
LogP1.62
Rot. Bonds3

About [(2R)-1-amino-1-oxopropan-2-yl] 2-bromo-5-fluorobenzoate

[(2R)-1-amino-1-oxopropan-2-yl] 2-bromo-5-fluorobenzoate (PubChem CID 8987333) has the molecular formula C10H9BrFNO3 and a molecular weight of 290.09 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl] 2-bromo-5-fluorobenzoate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] 2-bromo-5-fluorobenzoate
PubChem CID8987333
Molecular FormulaC10H9BrFNO3
Molecular Weight290.09 g/mol
Exact Mass288.97
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] 2-bromo-5-fluorobenzoate
SMILESC[C@@H](OC(=O)c1cc(F)ccc1Br)C(N)=O
InChIInChI=1S/C10H9BrFNO3/c1-5(9(13)14)16-10(15)7-4-6(12)2-3-8(7)11/h2-5H,1H3,(H2,13,14)/t5-/m1/s1
InChIKeyWMPJJKBWXIKUAC-RXMQYKEDSA-N
XLogP1.62
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.09
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-amino-1-oxopropan-2-yl] 2-bromo-5-fluorobenzoate 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

CID 15037299
CID 15037299
CID 2398852
CID 2398852
CID 5172949
CID 5172949
CID 46311267
CID 46311267
CID 3284157
CID 3284157
CID 26986095
CID 26986095
CID 58415868
CID 58415868
CID 2408288
CID 2408288
CID 171345712
CID 171345712
CID 46311268
CID 46311268
CID 603261
CID 603261
CID 60704431
CID 60704431

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2-bromo-5-fluorobenzoate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2-bromo-5-fluorobenzoate (CID 8987333) is [(2R)-1-amino-1-oxopropan-2-yl] 2-bromo-5-fluorobenzoate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] 2-bromo-5-fluorobenzoate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] 2-bromo-5-fluorobenzoate is C[C@@H](OC(=O)c1cc(F)ccc1Br)C(N)=O.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] 2-bromo-5-fluorobenzoate?
The InChIKey is WMPJJKBWXIKUAC-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H9BrFNO3/c1-5(9(13)14)16-10(15)7-4-6(12)2-3-8(7)11/h2-5H,1H3,(H2,13,14)/t5-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] 2-bromo-5-fluorobenzoate?
[(2R)-1-amino-1-oxopropan-2-yl] 2-bromo-5-fluorobenzoate has a molecular weight of 290.09 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl] 2-bromo-5-fluorobenzoate is sourced from PubChem (CID 8987333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).