(2R)-2-(4-fluorophenoxy)pyrrolidine-2-carboxylic acid

C11H12FNO3 — CID 70061498

IUPAC(2R)-2-(4-fluorophenoxy)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@]1(Oc2ccc(F)cc2)CCCN1
InChIInChI=1S/C11H12FNO3/c12-8-2-4-9(5-3-8)16-11(10(14)15)6-1-7-13-11/h2-5,13H,1,6-7H2,(H,14,15)/t11-/m1/s1
InChIKeyMBMHXMSHKYOIOB-LLVKDONJSA-N
MW225.22 g/mol
LogP1.37
Rot. Bonds3

About (2R)-2-(4-fluorophenoxy)pyrrolidine-2-carboxylic acid

(2R)-2-(4-fluorophenoxy)pyrrolidine-2-carboxylic acid (PubChem CID 70061498) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenoxy)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenoxy)pyrrolidine-2-carboxylic acid
PubChem CID70061498
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name(2R)-2-(4-fluorophenoxy)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@]1(Oc2ccc(F)cc2)CCCN1
InChIInChI=1S/C11H12FNO3/c12-8-2-4-9(5-3-8)16-11(10(14)15)6-1-7-13-11/h2-5,13H,1,6-7H2,(H,14,15)/t11-/m1/s1
InChIKeyMBMHXMSHKYOIOB-LLVKDONJSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 2761830
(2-bromoacetyl) (2S)-2-(2-fluorophenoxy)pyrrolidine-2-carboxylate
CID 88646840
4-[(4-fluorophenoxy)methyl]oxane-4-carboxylic acid
CID 97033966
(4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580446
1-[[2-(4-fluorophenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538968
2-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 70487750
1-[[2-(4-fluorophenoxy)acetyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120540025
3-(3-fluorophenoxy)piperidine-3-carboxylic acid
CID 84701154
1-[4-(4-fluorophenoxy)butanoylamino]cyclobutane-1-carboxylic acid
CID 81164148
(4-fluorophenyl) 1-fluorocyclopropane-1-carboxylate
CID 70650926
2-fluoropyrrolidine-2-carboxylic acid
CID 68687263
2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 53398104

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenoxy)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-2-(4-fluorophenoxy)pyrrolidine-2-carboxylic acid (CID 70061498) is (2R)-2-(4-fluorophenoxy)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-2-(4-fluorophenoxy)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-2-(4-fluorophenoxy)pyrrolidine-2-carboxylic acid is O=C(O)[C@]1(Oc2ccc(F)cc2)CCCN1.
What is the InChIKey of (2R)-2-(4-fluorophenoxy)pyrrolidine-2-carboxylic acid?
The InChIKey is MBMHXMSHKYOIOB-LLVKDONJSA-N. The full InChI is InChI=1S/C11H12FNO3/c12-8-2-4-9(5-3-8)16-11(10(14)15)6-1-7-13-11/h2-5,13H,1,6-7H2,(H,14,15)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenoxy)pyrrolidine-2-carboxylic acid?
(2R)-2-(4-fluorophenoxy)pyrrolidine-2-carboxylic acid has a molecular weight of 225.22 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenoxy)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70061498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).