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

C10H9BrFNO3 — CID 107949095

IUPAC(2R)-2-[(3-bromo-2-fluorobenzoyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)c1cccc(Br)c1F)C(=O)O
InChIInChI=1S/C10H9BrFNO3/c1-5(10(15)16)13-9(14)6-3-2-4-7(11)8(6)12/h2-5H,1H3,(H,13,14)(H,15,16)/t5-/m1/s1
InChIKeyLWVXGVQPLCDGKR-RXMQYKEDSA-N
MW290.09 g/mol
LogP1.79
Rot. Bonds3

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

(2R)-2-[(3-bromo-2-fluorobenzoyl)amino]propanoic acid (PubChem CID 107949095) has the molecular formula C10H9BrFNO3 and a molecular weight of 290.09 g/mol. Its IUPAC name is (2R)-2-[(3-bromo-2-fluorobenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-bromo-2-fluorobenzoyl)amino]propanoic acid
PubChem CID107949095
Molecular FormulaC10H9BrFNO3
Molecular Weight290.09 g/mol
Exact Mass288.97
IUPAC Name(2R)-2-[(3-bromo-2-fluorobenzoyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)c1cccc(Br)c1F)C(=O)O
InChIInChI=1S/C10H9BrFNO3/c1-5(10(15)16)13-9(14)6-3-2-4-7(11)8(6)12/h2-5H,1H3,(H,13,14)(H,15,16)/t5-/m1/s1
InChIKeyLWVXGVQPLCDGKR-RXMQYKEDSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.09
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3-bromo-2-methylbenzoyl)amino]propanoic acid
CID 79010315
(2R)-2-[(3-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid
CID 107949365
3-bromo-N-(1,1-dimethoxypropan-2-yl)-2-fluorobenzamide
CID 107951282
3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide
CID 106544366
3-bromo-2-fluoro-N-(6-methylheptan-2-yl)benzamide
CID 107951723
2-[(3-bromo-2-fluorobenzoyl)amino]hexanoic acid
CID 107948998
3-bromo-N-(5-chloropentan-2-yl)-2-fluorobenzamide
CID 107956694
3-bromo-N-(1-bromo-4-methylpentan-3-yl)-2-fluorobenzamide
CID 106355254
3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 107951327
2-[(2-bromo-4-fluorobenzoyl)amino]propanoic acid
CID 16778204
3-bromo-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide
CID 106547482
3-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluorobenzamide
CID 106544532

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-bromo-2-fluorobenzoyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(3-bromo-2-fluorobenzoyl)amino]propanoic acid (CID 107949095) is (2R)-2-[(3-bromo-2-fluorobenzoyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(3-bromo-2-fluorobenzoyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(3-bromo-2-fluorobenzoyl)amino]propanoic acid is C[C@@H](NC(=O)c1cccc(Br)c1F)C(=O)O.
What is the InChIKey of (2R)-2-[(3-bromo-2-fluorobenzoyl)amino]propanoic acid?
The InChIKey is LWVXGVQPLCDGKR-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H9BrFNO3/c1-5(10(15)16)13-9(14)6-3-2-4-7(11)8(6)12/h2-5H,1H3,(H,13,14)(H,15,16)/t5-/m1/s1.
What are the key properties of (2R)-2-[(3-bromo-2-fluorobenzoyl)amino]propanoic acid?
(2R)-2-[(3-bromo-2-fluorobenzoyl)amino]propanoic acid has a molecular weight of 290.09 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-bromo-2-fluorobenzoyl)amino]propanoic acid is sourced from PubChem (CID 107949095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).