(2R)-1-[3-(2,6-dichlorophenyl)propyl]pyrrolidine-2-carboxylic acid

C14H17Cl2NO2 — CID 122038353

IUPAC(2R)-1-[3-(2,6-dichlorophenyl)propyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1CCCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H17Cl2NO2/c15-11-5-1-6-12(16)10(11)4-2-8-17-9-3-7-13(17)14(18)19/h1,5-6,13H,2-4,7-9H2,(H,18,19)/t13-/m1/s1
InChIKeyVGNFYFIAUONJLE-CYBMUJFWSA-N
MW302.20 g/mol
LogP3.47
Rot. Bonds5

About (2R)-1-[3-(2,6-dichlorophenyl)propyl]pyrrolidine-2-carboxylic acid

(2R)-1-[3-(2,6-dichlorophenyl)propyl]pyrrolidine-2-carboxylic acid (PubChem CID 122038353) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is (2R)-1-[3-(2,6-dichlorophenyl)propyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[3-(2,6-dichlorophenyl)propyl]pyrrolidine-2-carboxylic acid
PubChem CID122038353
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name(2R)-1-[3-(2,6-dichlorophenyl)propyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1CCCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H17Cl2NO2/c15-11-5-1-6-12(16)10(11)4-2-8-17-9-3-7-13(17)14(18)19/h1,5-6,13H,2-4,7-9H2,(H,18,19)/t13-/m1/s1
InChIKeyVGNFYFIAUONJLE-CYBMUJFWSA-N
XLogP3.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-chloro-6-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 154750840
(2R)-1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119914097
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
1-[3-(2-chlorophenoxy)propyl]piperidine-2-carboxylic acid
CID 82224108
(2S)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 86310024
1-(5-phenoxypentyl)piperidine-2-carboxylic acid
CID 122040490
1-[3-(4-chlorophenoxy)propyl]azepane-2-carboxylic acid
CID 64563566
1-[2-(2,6-dichlorophenyl)acetyl]piperidine-2-carboxylic acid
CID 43239840
(2S)-1-[2-(3-chlorophenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 167816033
(2S)-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 175401357
1-nonylpyrrolidine-2-carboxylic acid
CID 43441741
1-(6-hydroxyhexyl)piperidine-2-carboxylic acid
CID 104540976

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(2,6-dichlorophenyl)propyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[3-(2,6-dichlorophenyl)propyl]pyrrolidine-2-carboxylic acid (CID 122038353) is (2R)-1-[3-(2,6-dichlorophenyl)propyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[3-(2,6-dichlorophenyl)propyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[3-(2,6-dichlorophenyl)propyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1CCCc1c(Cl)cccc1Cl.
What is the InChIKey of (2R)-1-[3-(2,6-dichlorophenyl)propyl]pyrrolidine-2-carboxylic acid?
The InChIKey is VGNFYFIAUONJLE-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c15-11-5-1-6-12(16)10(11)4-2-8-17-9-3-7-13(17)14(18)19/h1,5-6,13H,2-4,7-9H2,(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-1-[3-(2,6-dichlorophenyl)propyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[3-(2,6-dichlorophenyl)propyl]pyrrolidine-2-carboxylic acid has a molecular weight of 302.20 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(2,6-dichlorophenyl)propyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122038353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).