(3R)-3-[(2-bromo-6-fluorobenzoyl)amino]butanoic acid

C11H11BrFNO3 — CID 167751934

IUPAC(3R)-3-[(2-bromo-6-fluorobenzoyl)amino]butanoic acid
SMILESC[C@H](CC(=O)O)NC(=O)c1c(F)cccc1Br
InChIInChI=1S/C11H11BrFNO3/c1-6(5-9(15)16)14-11(17)10-7(12)3-2-4-8(10)13/h2-4,6H,5H2,1H3,(H,14,17)(H,15,16)/t6-/m1/s1
InChIKeyOEWIOKCTBPONRD-ZCFIWIBFSA-N
MW304.12 g/mol
LogP2.18
Rot. Bonds4

About (3R)-3-[(2-bromo-6-fluorobenzoyl)amino]butanoic acid

(3R)-3-[(2-bromo-6-fluorobenzoyl)amino]butanoic acid (PubChem CID 167751934) has the molecular formula C11H11BrFNO3 and a molecular weight of 304.12 g/mol. Its IUPAC name is (3R)-3-[(2-bromo-6-fluorobenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name(3R)-3-[(2-bromo-6-fluorobenzoyl)amino]butanoic acid
PubChem CID167751934
Molecular FormulaC11H11BrFNO3
Molecular Weight304.12 g/mol
Exact Mass302.99
IUPAC Name(3R)-3-[(2-bromo-6-fluorobenzoyl)amino]butanoic acid
SMILESC[C@H](CC(=O)O)NC(=O)c1c(F)cccc1Br
InChIInChI=1S/C11H11BrFNO3/c1-6(5-9(15)16)14-11(17)10-7(12)3-2-4-8(10)13/h2-4,6H,5H2,1H3,(H,14,17)(H,15,16)/t6-/m1/s1
InChIKeyOEWIOKCTBPONRD-ZCFIWIBFSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.12
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(1-cyanopropan-2-yl)-6-fluorobenzamide
CID 115678854
2-bromo-6-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 103733626
2-bromo-N-(1,1-dimethoxypropan-2-yl)-6-fluorobenzamide
CID 114559290
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,6-difluorobenzamide
CID 62094599
5-[(2,6-difluorobenzoyl)amino]hexanoic acid
CID 82854153
3-[(2,6-difluorophenyl)carbamoylamino]butanoic acid
CID 61194064
2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-6-fluorobenzamide
CID 115678201
2-bromo-6-fluoro-N-(2-phenylpropyl)benzamide
CID 115678208
N-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107016869
3-[(3-fluorobenzoyl)amino]butanoic acid
CID 43240622
2-bromo-N-[1-(2-chlorophenyl)ethyl]-6-fluorobenzamide
CID 115678186
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-bromo-6-fluorobenzamide
CID 114559235

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-bromo-6-fluorobenzoyl)amino]butanoic acid?
The IUPAC name of (3R)-3-[(2-bromo-6-fluorobenzoyl)amino]butanoic acid (CID 167751934) is (3R)-3-[(2-bromo-6-fluorobenzoyl)amino]butanoic acid.
What is the SMILES notation for (3R)-3-[(2-bromo-6-fluorobenzoyl)amino]butanoic acid?
The canonical SMILES for (3R)-3-[(2-bromo-6-fluorobenzoyl)amino]butanoic acid is C[C@H](CC(=O)O)NC(=O)c1c(F)cccc1Br.
What is the InChIKey of (3R)-3-[(2-bromo-6-fluorobenzoyl)amino]butanoic acid?
The InChIKey is OEWIOKCTBPONRD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H11BrFNO3/c1-6(5-9(15)16)14-11(17)10-7(12)3-2-4-8(10)13/h2-4,6H,5H2,1H3,(H,14,17)(H,15,16)/t6-/m1/s1.
What are the key properties of (3R)-3-[(2-bromo-6-fluorobenzoyl)amino]butanoic acid?
(3R)-3-[(2-bromo-6-fluorobenzoyl)amino]butanoic acid has a molecular weight of 304.12 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-bromo-6-fluorobenzoyl)amino]butanoic acid is sourced from PubChem (CID 167751934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).