(2R)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid

C14H16ClNO3 — CID 55151521

IUPAC(2R)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)CCc1ccccc1Cl
InChIInChI=1S/C14H16ClNO3/c15-11-5-2-1-4-10(11)7-8-13(17)16-9-3-6-12(16)14(18)19/h1-2,4-5,12H,3,6-9H2,(H,18,19)/t12-/m1/s1
InChIKeyTWSNQAUNHWTSRS-GFCCVEGCSA-N
MW281.74 g/mol
LogP2.35
Rot. Bonds4

About (2R)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 55151521) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is (2R)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID55151521
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name(2R)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)CCc1ccccc1Cl
InChIInChI=1S/C14H16ClNO3/c15-11-5-2-1-4-10(11)7-8-13(17)16-9-3-6-12(16)14(18)19/h1-2,4-5,12H,3,6-9H2,(H,18,19)/t12-/m1/s1
InChIKeyTWSNQAUNHWTSRS-GFCCVEGCSA-N
XLogP2.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[3-(2-chlorophenyl)propanoyl]-N-methylidenepyrrolidine-2-carboxamide
CID 170257704
1-[5-(2-chlorophenyl)-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 118111913
4-[3-(2-chlorophenyl)propanoyl]thiomorpholine-3-carboxylic acid
CID 78980263
3-(2-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 78785123
(2S)-1-[3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid
CID 124683442
(2S)-1-[3-(3,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365191
(2R)-1-[2-(2-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78922074
1-[(2S)-2-(aminomethyl)piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one
CID 124573392
(2S)-1-[(2-chlorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 28509931
1-[2-(2,6-dichlorophenyl)acetyl]piperidine-2-carboxylic acid
CID 43239840
(2R)-1-[3-(2-chlorophenyl)sulfanylpropanoyl]piperidine-2-carboxylic acid
CID 79035190
(2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid
CID 92650290

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid (CID 55151521) is (2R)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)CCc1ccccc1Cl.
What is the InChIKey of (2R)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is TWSNQAUNHWTSRS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16ClNO3/c15-11-5-2-1-4-10(11)7-8-13(17)16-9-3-6-12(16)14(18)19/h1-2,4-5,12H,3,6-9H2,(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 281.74 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 55151521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).