(2R)-1-[[4-(3,5-difluorophenoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid

C18H17F2NO3 — CID 122038234

IUPAC(2R)-1-[[4-(3,5-difluorophenoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1Cc1ccc(Oc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C18H17F2NO3/c19-13-8-14(20)10-16(9-13)24-15-5-3-12(4-6-15)11-21-7-1-2-17(21)18(22)23/h3-6,8-10,17H,1-2,7,11H2,(H,22,23)/t17-/m1/s1
InChIKeyQGNAZWPKZXAOQC-QGZVFWFLSA-N
MW333.33 g/mol
LogP3.81
Rot. Bonds5

About (2R)-1-[[4-(3,5-difluorophenoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid

(2R)-1-[[4-(3,5-difluorophenoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid (PubChem CID 122038234) has the molecular formula C18H17F2NO3 and a molecular weight of 333.33 g/mol. Its IUPAC name is (2R)-1-[[4-(3,5-difluorophenoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[[4-(3,5-difluorophenoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid
PubChem CID122038234
Molecular FormulaC18H17F2NO3
Molecular Weight333.33 g/mol
Exact Mass333.12
IUPAC Name(2R)-1-[[4-(3,5-difluorophenoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1Cc1ccc(Oc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C18H17F2NO3/c19-13-8-14(20)10-16(9-13)24-15-5-3-12(4-6-15)11-21-7-1-2-17(21)18(22)23/h3-6,8-10,17H,1-2,7,11H2,(H,22,23)/t17-/m1/s1
InChIKeyQGNAZWPKZXAOQC-QGZVFWFLSA-N
XLogP3.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 105404580
(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 96661922
1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908608
(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 7048458
(2S)-1-[[4-(4-chloro-2-nitrophenoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122038736
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3998097
1-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 119909233
1-[[4-(3-methylbutoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122036587
1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056433
(2S)-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122038870
(2S)-1-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122038883
1-[(4-bromophenyl)methyl]piperidine-2-carboxylic acid
CID 4021400

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[4-(3,5-difluorophenoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[[4-(3,5-difluorophenoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid (CID 122038234) is (2R)-1-[[4-(3,5-difluorophenoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[[4-(3,5-difluorophenoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[[4-(3,5-difluorophenoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1Cc1ccc(Oc2cc(F)cc(F)c2)cc1.
What is the InChIKey of (2R)-1-[[4-(3,5-difluorophenoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is QGNAZWPKZXAOQC-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H17F2NO3/c19-13-8-14(20)10-16(9-13)24-15-5-3-12(4-6-15)11-21-7-1-2-17(21)18(22)23/h3-6,8-10,17H,1-2,7,11H2,(H,22,23)/t17-/m1/s1.
What are the key properties of (2R)-1-[[4-(3,5-difluorophenoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[[4-(3,5-difluorophenoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 333.33 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[4-(3,5-difluorophenoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122038234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).