2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid

C10H9BrFNO4 — CID 24690745

IUPAC2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid
SMILESO=C(NC(CO)C(=O)O)c1ccc(Br)cc1F
InChIInChI=1S/C10H9BrFNO4/c11-5-1-2-6(7(12)3-5)9(15)13-8(4-14)10(16)17/h1-3,8,14H,4H2,(H,13,15)(H,16,17)
InChIKeyGMWOLAOTBIUCSA-UHFFFAOYSA-N
MW306.09 g/mol
LogP0.76
Rot. Bonds4

About 2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid

2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid (PubChem CID 24690745) has the molecular formula C10H9BrFNO4 and a molecular weight of 306.09 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid
PubChem CID24690745
Molecular FormulaC10H9BrFNO4
Molecular Weight306.09 g/mol
Exact Mass304.97
IUPAC Name2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid
SMILESO=C(NC(CO)C(=O)O)c1ccc(Br)cc1F
InChIInChI=1S/C10H9BrFNO4/c11-5-1-2-6(7(12)3-5)9(15)13-8(4-14)10(16)17/h1-3,8,14H,4H2,(H,13,15)(H,16,17)
InChIKeyGMWOLAOTBIUCSA-UHFFFAOYSA-N
XLogP0.76
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.09
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid (CID 24690745) is 2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid is O=C(NC(CO)C(=O)O)c1ccc(Br)cc1F.
What is the InChIKey of 2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid?
The InChIKey is GMWOLAOTBIUCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO4/c11-5-1-2-6(7(12)3-5)9(15)13-8(4-14)10(16)17/h1-3,8,14H,4H2,(H,13,15)(H,16,17).
What are the key properties of 2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid?
2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid has a molecular weight of 306.09 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 24690745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).