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

C10H9BrFNO4 — CID 107949365

IUPAC(2R)-2-[(3-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid
SMILESO=C(N[C@H](CO)C(=O)O)c1cccc(Br)c1F
InChIInChI=1S/C10H9BrFNO4/c11-6-3-1-2-5(8(6)12)9(15)13-7(4-14)10(16)17/h1-3,7,14H,4H2,(H,13,15)(H,16,17)/t7-/m1/s1
InChIKeyUYYDSXUOKFRYRG-SSDOTTSWSA-N
MW306.09 g/mol
LogP0.76
Rot. Bonds4

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

(2R)-2-[(3-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid (PubChem CID 107949365) has the molecular formula C10H9BrFNO4 and a molecular weight of 306.09 g/mol. Its IUPAC name is (2R)-2-[(3-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid
PubChem CID107949365
Molecular FormulaC10H9BrFNO4
Molecular Weight306.09 g/mol
Exact Mass304.97
IUPAC Name(2R)-2-[(3-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid
SMILESO=C(N[C@H](CO)C(=O)O)c1cccc(Br)c1F
InChIInChI=1S/C10H9BrFNO4/c11-6-3-1-2-5(8(6)12)9(15)13-7(4-14)10(16)17/h1-3,7,14H,4H2,(H,13,15)(H,16,17)/t7-/m1/s1
InChIKeyUYYDSXUOKFRYRG-SSDOTTSWSA-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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Related Compounds

(2S)-5-amino-2-[(3-bromo-2-fluorobenzoyl)amino]-5-oxopentanoic acid
CID 107949065
2-[(3-bromo-2-fluorobenzoyl)amino]hexanoic acid
CID 107948998
(2R)-2-[(3-bromo-2-fluorobenzoyl)amino]propanoic acid
CID 107949095
2-[(3-bromo-2-fluorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107949455
(2R)-2-[(3-bromo-2-fluorobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 107949498
2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxypropanoic acid
CID 656417
3-bromo-N-(2-bromo-1-phenylethyl)-2-fluorobenzamide
CID 107956724
2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid
CID 24690745
3-bromo-2-fluoro-N-(6-methylheptan-2-yl)benzamide
CID 107951723
2-[(2,6-dibromophenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 107601798
3-bromo-N-(5-chloropentan-2-yl)-2-fluorobenzamide
CID 107956694
N-(1-aminobutan-2-yl)-3-bromo-2-fluorobenzamide
CID 107956165

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[(3-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid (CID 107949365) is (2R)-2-[(3-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[(3-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[(3-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid is O=C(N[C@H](CO)C(=O)O)c1cccc(Br)c1F.
What is the InChIKey of (2R)-2-[(3-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid?
The InChIKey is UYYDSXUOKFRYRG-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H9BrFNO4/c11-6-3-1-2-5(8(6)12)9(15)13-7(4-14)10(16)17/h1-3,7,14H,4H2,(H,13,15)(H,16,17)/t7-/m1/s1.
What are the key properties of (2R)-2-[(3-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid?
(2R)-2-[(3-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 (2R)-2-[(3-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 107949365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).