4-amino-2-(4-fluorophenyl)sulfinylbutanoic acid

C10H12FNO3S — CID 64696083

IUPAC4-amino-2-(4-fluorophenyl)sulfinylbutanoic acid
SMILESNCCC(C(=O)O)S(=O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO3S/c11-7-1-3-8(4-2-7)16(15)9(5-6-12)10(13)14/h1-4,9H,5-6,12H2,(H,13,14)
InChIKeyANCQVHNEGAVMID-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.74
Rot. Bonds5

About 4-amino-2-(4-fluorophenyl)sulfinylbutanoic acid

4-amino-2-(4-fluorophenyl)sulfinylbutanoic acid (PubChem CID 64696083) has the molecular formula C10H12FNO3S and a molecular weight of 245.27 g/mol. Its IUPAC name is 4-amino-2-(4-fluorophenyl)sulfinylbutanoic acid.

Molecular Properties

Compound Name4-amino-2-(4-fluorophenyl)sulfinylbutanoic acid
PubChem CID64696083
Molecular FormulaC10H12FNO3S
Molecular Weight245.27 g/mol
Exact Mass245.05
IUPAC Name4-amino-2-(4-fluorophenyl)sulfinylbutanoic acid
SMILESNCCC(C(=O)O)S(=O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO3S/c11-7-1-3-8(4-2-7)16(15)9(5-6-12)10(13)14/h1-4,9H,5-6,12H2,(H,13,14)
InChIKeyANCQVHNEGAVMID-UHFFFAOYSA-N
XLogP0.74
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(benzenesulfinyl)propanoic acid
CID 64693814
ethyl 2-(4-fluorophenyl)sulfinylbutanoate
CID 64661886
2-(4-chlorophenyl)sulfinylbutanoic acid
CID 61304522
3-(4-fluorophenyl)sulfinyl-2-methylpropanoic acid
CID 61304128
3-amino-4-(4-fluorophenyl)sulfinylbutan-1-ol
CID 64900354
3-(4-fluorophenyl)sulfinylpropan-1-amine
CID 58684769
3-amino-2-(3,4-dimethylphenyl)sulfinylpropanoic acid
CID 64693818
2-(4-chlorophenyl)sulfinyl-3-methoxypropanoic acid
CID 103224926
2-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide
CID 63791044
5-amino-3-(4-fluorobenzoyl)pentanoic acid
CID 171115074
N,N-diethyl-2-(4-fluorophenyl)sulfinylpropanamide
CID 63793163
2-(4-tert-butylphenyl)sulfinylbutanoic acid
CID 61302757

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-fluorophenyl)sulfinylbutanoic acid?
The IUPAC name of 4-amino-2-(4-fluorophenyl)sulfinylbutanoic acid (CID 64696083) is 4-amino-2-(4-fluorophenyl)sulfinylbutanoic acid.
What is the SMILES notation for 4-amino-2-(4-fluorophenyl)sulfinylbutanoic acid?
The canonical SMILES for 4-amino-2-(4-fluorophenyl)sulfinylbutanoic acid is NCCC(C(=O)O)S(=O)c1ccc(F)cc1.
What is the InChIKey of 4-amino-2-(4-fluorophenyl)sulfinylbutanoic acid?
The InChIKey is ANCQVHNEGAVMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3S/c11-7-1-3-8(4-2-7)16(15)9(5-6-12)10(13)14/h1-4,9H,5-6,12H2,(H,13,14).
What are the key properties of 4-amino-2-(4-fluorophenyl)sulfinylbutanoic acid?
4-amino-2-(4-fluorophenyl)sulfinylbutanoic acid has a molecular weight of 245.27 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-fluorophenyl)sulfinylbutanoic acid is sourced from PubChem (CID 64696083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).