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

C12H14FNO3 — CID 66868946

IUPAC(3S,4S)-4-(2-fluorophenyl)-4-(methylamino)oxolane-3-carboxylic acid
SMILESCN[C@@]1(c2ccccc2F)COC[C@H]1C(=O)O
InChIInChI=1S/C12H14FNO3/c1-14-12(7-17-6-9(12)11(15)16)8-4-2-3-5-10(8)13/h2-5,9,14H,6-7H2,1H3,(H,15,16)/t9-,12+/m0/s1
InChIKeyBABOROWUIXDJJX-JOYOIKCWSA-N
MW239.25 g/mol
LogP0.97
Rot. Bonds3

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

(3S,4S)-4-(2-fluorophenyl)-4-(methylamino)oxolane-3-carboxylic acid (PubChem CID 66868946) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is (3S,4S)-4-(2-fluorophenyl)-4-(methylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-(2-fluorophenyl)-4-(methylamino)oxolane-3-carboxylic acid
PubChem CID66868946
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name(3S,4S)-4-(2-fluorophenyl)-4-(methylamino)oxolane-3-carboxylic acid
SMILESCN[C@@]1(c2ccccc2F)COC[C@H]1C(=O)O
InChIInChI=1S/C12H14FNO3/c1-14-12(7-17-6-9(12)11(15)16)8-4-2-3-5-10(8)13/h2-5,9,14H,6-7H2,1H3,(H,15,16)/t9-,12+/m0/s1
InChIKeyBABOROWUIXDJJX-JOYOIKCWSA-N
XLogP0.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,4S)-4-(2-fluorophenyl)-4-(methylamino)oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R)-4-amino-4-(2-fluorophenyl)oxolane-3-carboxylic acid
CID 123956651
tert-butyl N-[(3R)-3-(2-fluorophenyl)-4-formyloxolan-3-yl]carbamate
CID 89095567
tert-butyl N-[3-(2-fluorophenyl)-4-(hydroxymethyl)oxolan-3-yl]carbamate
CID 77467008
(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-(2-fluorophenyl)-2-(methoxymethyl)-4-(methylamino)oxolan-3-yl]methanol
CID 143834640
N-[[(3S,4R,5R)-3-(2-fluorophenyl)-5-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)oxolan-3-yl]carbamoyl]-N-sulfanylbenzamide
CID 88851579
7a-(2-fluorophenyl)-4-methyl-1,3,3a,4,5,7-hexahydropyrano[3,4-c][1,2]oxazole
CID 70231437
N-[3-(2-fluorophenyl)oxetan-3-yl]-1-methyl-2-oxoimidazolidine-4-carboxamide
CID 136566541
4-[(4R,5R)-3-(2-fluorophenyl)-5-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)oxolan-3-yl]-1-phenyl-3-sulfanylidenebutan-1-one
CID 157420887
2,2,2-trifluoro-N-[(3S,4S,5S)-3-(2-fluorophenyl)-4-formyl-5-(trifluoromethyl)oxolan-3-yl]acetamide
CID 142342206
methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate
CID 75487964

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(2-fluorophenyl)-4-(methylamino)oxolane-3-carboxylic acid?
The IUPAC name of (3S,4S)-4-(2-fluorophenyl)-4-(methylamino)oxolane-3-carboxylic acid (CID 66868946) is (3S,4S)-4-(2-fluorophenyl)-4-(methylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-(2-fluorophenyl)-4-(methylamino)oxolane-3-carboxylic acid?
The canonical SMILES for (3S,4S)-4-(2-fluorophenyl)-4-(methylamino)oxolane-3-carboxylic acid is CN[C@@]1(c2ccccc2F)COC[C@H]1C(=O)O.
What is the InChIKey of (3S,4S)-4-(2-fluorophenyl)-4-(methylamino)oxolane-3-carboxylic acid?
The InChIKey is BABOROWUIXDJJX-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-14-12(7-17-6-9(12)11(15)16)8-4-2-3-5-10(8)13/h2-5,9,14H,6-7H2,1H3,(H,15,16)/t9-,12+/m0/s1.
What are the key properties of (3S,4S)-4-(2-fluorophenyl)-4-(methylamino)oxolane-3-carboxylic acid?
(3S,4S)-4-(2-fluorophenyl)-4-(methylamino)oxolane-3-carboxylic acid has a molecular weight of 239.25 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(2-fluorophenyl)-4-(methylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 66868946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).