(3S,4R)-4-amino-4-(2-fluorophenyl)oxolane-3-carboxylic acid

C11H12FNO3 — CID 123956651

IUPAC(3S,4R)-4-amino-4-(2-fluorophenyl)oxolane-3-carboxylic acid
SMILESN[C@]1(c2ccccc2F)COC[C@H]1C(=O)O
InChIInChI=1S/C11H12FNO3/c12-9-4-2-1-3-7(9)11(13)6-16-5-8(11)10(14)15/h1-4,8H,5-6,13H2,(H,14,15)/t8-,11-/m0/s1
InChIKeyPETQUANVXDETOA-KWQFWETISA-N
MW225.22 g/mol
LogP0.71
Rot. Bonds2

About (3S,4R)-4-amino-4-(2-fluorophenyl)oxolane-3-carboxylic acid

(3S,4R)-4-amino-4-(2-fluorophenyl)oxolane-3-carboxylic acid (PubChem CID 123956651) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is (3S,4R)-4-amino-4-(2-fluorophenyl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-4-amino-4-(2-fluorophenyl)oxolane-3-carboxylic acid
PubChem CID123956651
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name(3S,4R)-4-amino-4-(2-fluorophenyl)oxolane-3-carboxylic acid
SMILESN[C@]1(c2ccccc2F)COC[C@H]1C(=O)O
InChIInChI=1S/C11H12FNO3/c12-9-4-2-1-3-7(9)11(13)6-16-5-8(11)10(14)15/h1-4,8H,5-6,13H2,(H,14,15)/t8-,11-/m0/s1
InChIKeyPETQUANVXDETOA-KWQFWETISA-N
XLogP0.71
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-4-(2-fluorophenyl)-4-(methylamino)oxolane-3-carboxylic acid
CID 66868946
(1R)-2-(2-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 105479068
(3aR,7aR)-3a-(2-fluorophenyl)-7-methyl-1,3,4,6,7,7a-hexahydrofuro[3,4-c]pyran
CID 58406095
[(3R,4S)-4-amino-4-(2-fluorophenyl)-2-methyloxolan-3-yl]methanol
CID 67477643
[(2S,3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol
CID 66869282
[(2S,4R,5S)-5-amino-5-(2-fluorophenyl)-2-methyloxan-4-yl]methanol
CID 58406100
[(2S,4R,5S)-5-amino-2-ethyl-5-(2-fluorophenyl)oxan-4-yl]methanol
CID 58406074
[(3R,4S,6S)-4-amino-6-ethyl-4-(2-fluorophenyl)oxan-3-yl]methanol
CID 59621338
1-(2-fluorophenyl)-3-oxocyclobutane-1-carboxylic acid
CID 64906471
7a-(2-fluorophenyl)-4-methyl-1,3,3a,4,5,7-hexahydropyrano[3,4-c][1,2]oxazole
CID 70231437
[4-amino-4-(2-fluorophenyl)-2-(methoxymethyl)oxolan-3-yl]methanol
CID 67477691
2-[1-(2-fluorophenyl)cyclopropyl]acetic acid
CID 82075914

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-amino-4-(2-fluorophenyl)oxolane-3-carboxylic acid?
The IUPAC name of (3S,4R)-4-amino-4-(2-fluorophenyl)oxolane-3-carboxylic acid (CID 123956651) is (3S,4R)-4-amino-4-(2-fluorophenyl)oxolane-3-carboxylic acid.
What is the SMILES notation for (3S,4R)-4-amino-4-(2-fluorophenyl)oxolane-3-carboxylic acid?
The canonical SMILES for (3S,4R)-4-amino-4-(2-fluorophenyl)oxolane-3-carboxylic acid is N[C@]1(c2ccccc2F)COC[C@H]1C(=O)O.
What is the InChIKey of (3S,4R)-4-amino-4-(2-fluorophenyl)oxolane-3-carboxylic acid?
The InChIKey is PETQUANVXDETOA-KWQFWETISA-N. The full InChI is InChI=1S/C11H12FNO3/c12-9-4-2-1-3-7(9)11(13)6-16-5-8(11)10(14)15/h1-4,8H,5-6,13H2,(H,14,15)/t8-,11-/m0/s1.
What are the key properties of (3S,4R)-4-amino-4-(2-fluorophenyl)oxolane-3-carboxylic acid?
(3S,4R)-4-amino-4-(2-fluorophenyl)oxolane-3-carboxylic acid has a molecular weight of 225.22 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-amino-4-(2-fluorophenyl)oxolane-3-carboxylic acid is sourced from PubChem (CID 123956651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).