(2R)-1-(4-cyclohexylbenzoyl)pyrrolidine-2-carboxylic acid

C18H23NO3 — CID 119371394

IUPAC(2R)-1-(4-cyclohexylbenzoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H23NO3/c20-17(19-12-4-7-16(19)18(21)22)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h8-11,13,16H,1-7,12H2,(H,21,22)/t16-/m1/s1
InChIKeyUMJFHRNEXPVCOI-MRXNPFEDSA-N
MW301.39 g/mol
LogP3.42
Rot. Bonds3

About (2R)-1-(4-cyclohexylbenzoyl)pyrrolidine-2-carboxylic acid

(2R)-1-(4-cyclohexylbenzoyl)pyrrolidine-2-carboxylic acid (PubChem CID 119371394) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2R)-1-(4-cyclohexylbenzoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(4-cyclohexylbenzoyl)pyrrolidine-2-carboxylic acid
PubChem CID119371394
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name(2R)-1-(4-cyclohexylbenzoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H23NO3/c20-17(19-12-4-7-16(19)18(21)22)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h8-11,13,16H,1-7,12H2,(H,21,22)/t16-/m1/s1
InChIKeyUMJFHRNEXPVCOI-MRXNPFEDSA-N
XLogP3.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-cyclohexylbenzoyl)morpholine-3-carboxylic acid
CID 119216482
(2R)-1-[4-[(2R)-2-acetylpyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 59403363
(2R)-1-(4-formylbenzoyl)pyrrolidine-2-carboxylic acid
CID 170549555
(2S)-1-[4-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 15320435
(2R)-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid
CID 51663819
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
(4-cyclohexylphenyl)-(2-methylaziridin-1-yl)methanone
CID 22282326
1-(3,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016794
(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
CID 78791688
(2R)-1-[4-[(S)-methylsulfinyl]benzoyl]piperidine-2-carboxylic acid
CID 124577139
1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 120515009
(2S)-1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 45339353

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-cyclohexylbenzoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(4-cyclohexylbenzoyl)pyrrolidine-2-carboxylic acid (CID 119371394) is (2R)-1-(4-cyclohexylbenzoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(4-cyclohexylbenzoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(4-cyclohexylbenzoyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of (2R)-1-(4-cyclohexylbenzoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is UMJFHRNEXPVCOI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23NO3/c20-17(19-12-4-7-16(19)18(21)22)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h8-11,13,16H,1-7,12H2,(H,21,22)/t16-/m1/s1.
What are the key properties of (2R)-1-(4-cyclohexylbenzoyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(4-cyclohexylbenzoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 301.39 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-cyclohexylbenzoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119371394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).