(2S,4S)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylic acid

C11H12FNO3 — CID 54194980

IUPAC(2S,4S)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](Oc2ccccc2F)CN1
InChIInChI=1S/C11H12FNO3/c12-8-3-1-2-4-10(8)16-7-5-9(11(14)15)13-6-7/h1-4,7,9,13H,5-6H2,(H,14,15)/t7-,9-/m0/s1
InChIKeyPLDPMIGGFXYGLV-CBAPKCEASA-N
MW225.22 g/mol
LogP1.02
Rot. Bonds3

About (2S,4S)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylic acid

(2S,4S)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylic acid (PubChem CID 54194980) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is (2S,4S)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylic acid
PubChem CID54194980
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name(2S,4S)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](Oc2ccccc2F)CN1
InChIInChI=1S/C11H12FNO3/c12-8-3-1-2-4-10(8)16-7-5-9(11(14)15)13-6-7/h1-4,7,9,13H,5-6H2,(H,14,15)/t7-,9-/m0/s1
InChIKeyPLDPMIGGFXYGLV-CBAPKCEASA-N
XLogP1.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4aS,6S,8aR)-6-(2-carboxy-3-fluorophenoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
CID 72546528
methyl (2S,4R)-4-(2,4-difluorophenoxy)pyrrolidine-2-carboxylate
CID 24902875
(2S,4S)-4-(4-carboxyphenoxy)pyrrolidine-2-carboxylic acid
CID 58003784
methyl (2R,4R)-4-[2-(trifluoromethyl)phenoxy]pyrrolidine-2-carboxylate
CID 98006342
methyl (2S)-4-[2-(trifluoromethyl)phenoxy]pyrrolidine-2-carboxylate
CID 45075597
methyl (2S,4S)-4-(2-phenylphenoxy)pyrrolidine-2-carboxylate;hydrochloride
CID 66523902
4-phenoxypyrrolidine-2-carboxamide
CID 175784716
methyl 4-[2-(trifluoromethyl)phenoxy]pyrrolidine-2-carboxylate;hydrochloride
CID 53410543
(2R,4S)-4-benzamidooxypyrrolidine-2-carboxylic acid
CID 87217555
(2S,4R)-4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 2761966
(2S)-4-(2-phenylethoxy)pyrrolidine-2-carboxylic acid
CID 70059420
(2S,4R)-4-(4-tert-butylphenoxy)pyrrolidine-2-carboxylic acid
CID 24754776

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylic acid (CID 54194980) is (2S,4S)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](Oc2ccccc2F)CN1.
What is the InChIKey of (2S,4S)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylic acid?
The InChIKey is PLDPMIGGFXYGLV-CBAPKCEASA-N. The full InChI is InChI=1S/C11H12FNO3/c12-8-3-1-2-4-10(8)16-7-5-9(11(14)15)13-6-7/h1-4,7,9,13H,5-6H2,(H,14,15)/t7-,9-/m0/s1.
What are the key properties of (2S,4S)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylic acid?
(2S,4S)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylic acid has a molecular weight of 225.22 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54194980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).