(3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid

C11H12FNO4 — CID 103547951

IUPAC(3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid
SMILESC[C@H](CC(=O)O)Oc1cccc(F)c1C(N)=O
InChIInChI=1S/C11H12FNO4/c1-6(5-9(14)15)17-8-4-2-3-7(12)10(8)11(13)16/h2-4,6H,5H2,1H3,(H2,13,16)(H,14,15)/t6-/m1/s1
InChIKeyMHWSQLOSSMWCID-ZCFIWIBFSA-N
MW241.22 g/mol
LogP1.17
Rot. Bonds5

About (3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid

(3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid (PubChem CID 103547951) has the molecular formula C11H12FNO4 and a molecular weight of 241.22 g/mol. Its IUPAC name is (3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid.

Molecular Properties

Compound Name(3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid
PubChem CID103547951
Molecular FormulaC11H12FNO4
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name(3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid
SMILESC[C@H](CC(=O)O)Oc1cccc(F)c1C(N)=O
InChIInChI=1S/C11H12FNO4/c1-6(5-9(14)15)17-8-4-2-3-7(12)10(8)11(13)16/h2-4,6H,5H2,1H3,(H2,13,16)(H,14,15)/t6-/m1/s1
InChIKeyMHWSQLOSSMWCID-ZCFIWIBFSA-N
XLogP1.17
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(2,3-difluorophenoxy)butanoic acid
CID 94985896
2-fluoro-6-(3-oxobutan-2-yloxy)benzamide
CID 62032914
(3R)-3-(2-cyano-3-fluorophenoxy)butanoic acid
CID 93219334
2-fluoro-6-(1-hydrazinyl-1-oxopropan-2-yl)oxybenzamide
CID 63571062
3-(2,3-dihydroxyphenoxy)butanoic acid
CID 42605052
2-fluoro-6-(3-methyl-2-oxobutoxy)benzamide
CID 79395775
methyl 3-(2-carbamoyl-3-fluorophenoxy)-2-methylpropanoate
CID 43609465
2-fluoro-6-(1-hydrazinyl-1-oxopentan-2-yl)oxybenzamide
CID 83047514
2-[(1S)-1-(4-cyanophenyl)ethoxy]-6-fluorobenzamide
CID 99842144
(3S)-3-(2-bromophenoxy)butanoic acid
CID 71742862
2-(2-carbamothioyl-3-fluorophenoxy)propanamide
CID 43609505
methyl 2-acetamido-3-(2-carbamoyl-3-fluorophenoxy)propanoate
CID 65441606

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid?
The IUPAC name of (3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid (CID 103547951) is (3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid.
What is the SMILES notation for (3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid?
The canonical SMILES for (3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid is C[C@H](CC(=O)O)Oc1cccc(F)c1C(N)=O.
What is the InChIKey of (3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid?
The InChIKey is MHWSQLOSSMWCID-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H12FNO4/c1-6(5-9(14)15)17-8-4-2-3-7(12)10(8)11(13)16/h2-4,6H,5H2,1H3,(H2,13,16)(H,14,15)/t6-/m1/s1.
What are the key properties of (3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid?
(3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid has a molecular weight of 241.22 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid is sourced from PubChem (CID 103547951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).