1-[(1S,3S)-3-phenylcyclopentanecarbonyl]pyrrolidine-2-carboxylic acid

C17H21NO3 — CID 164641131

IUPAC1-[(1S,3S)-3-phenylcyclopentanecarbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)[C@H]1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C17H21NO3/c19-16(18-10-4-7-15(18)17(20)21)14-9-8-13(11-14)12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2,(H,20,21)/t13-,14-,15?/m0/s1
InChIKeyKGPSGNLAJBHVAI-ZYOSVBKOSA-N
MW287.36 g/mol
LogP2.65
Rot. Bonds3

About 1-[(1S,3S)-3-phenylcyclopentanecarbonyl]pyrrolidine-2-carboxylic acid

1-[(1S,3S)-3-phenylcyclopentanecarbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 164641131) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[(1S,3S)-3-phenylcyclopentanecarbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(1S,3S)-3-phenylcyclopentanecarbonyl]pyrrolidine-2-carboxylic acid
PubChem CID164641131
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-[(1S,3S)-3-phenylcyclopentanecarbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)[C@H]1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C17H21NO3/c19-16(18-10-4-7-15(18)17(20)21)14-9-8-13(11-14)12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2,(H,20,21)/t13-,14-,15?/m0/s1
InChIKeyKGPSGNLAJBHVAI-ZYOSVBKOSA-N
XLogP2.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106892375
[(1S,3R)-3-phenylcyclopentyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone;hydrochloride
CID 161457507
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
(2S)-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine-2-carboxylic acid
CID 107126335
(3-aminocyclopentyl)-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119698902
1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 136558034
1-(4-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 61158042
1-(3-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 55148085
[2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride
CID 119467930
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438
1-(cyclohexanecarbonyl)azepane-2-carboxylic acid
CID 64559163

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3S)-3-phenylcyclopentanecarbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(1S,3S)-3-phenylcyclopentanecarbonyl]pyrrolidine-2-carboxylic acid (CID 164641131) is 1-[(1S,3S)-3-phenylcyclopentanecarbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(1S,3S)-3-phenylcyclopentanecarbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(1S,3S)-3-phenylcyclopentanecarbonyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)[C@H]1CC[C@H](c2ccccc2)C1.
What is the InChIKey of 1-[(1S,3S)-3-phenylcyclopentanecarbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is KGPSGNLAJBHVAI-ZYOSVBKOSA-N. The full InChI is InChI=1S/C17H21NO3/c19-16(18-10-4-7-15(18)17(20)21)14-9-8-13(11-14)12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2,(H,20,21)/t13-,14-,15?/m0/s1.
What are the key properties of 1-[(1S,3S)-3-phenylcyclopentanecarbonyl]pyrrolidine-2-carboxylic acid?
1-[(1S,3S)-3-phenylcyclopentanecarbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3S)-3-phenylcyclopentanecarbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 164641131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).