1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid

C15H17NO3 — CID 43239493

IUPAC1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C15H17NO3/c17-13(18)12-7-4-10-16(12)14(19)15(8-9-15)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,17,18)
InChIKeyFQGYYRRAMMVVSY-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.79
Rot. Bonds3

About 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid

1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 43239493) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
PubChem CID43239493
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C15H17NO3/c17-13(18)12-7-4-10-16(12)14(19)15(8-9-15)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,17,18)
InChIKeyFQGYYRRAMMVVSY-UHFFFAOYSA-N
XLogP1.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 78922091
(2S)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 66264111
(2R)-1-[1-(4-aminophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 103930599
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 4892293
[2-(bromomethyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 80678065
[2-(hydroxymethyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone
CID 43421113
[2-(methylaminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 63249167
methyl 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylate
CID 43423447
(2R)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-N-phenylpyrrolidine-2-carboxamide
CID 146500299
[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 110104394
2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923128
(1-phenylcyclopropyl)-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 87052044

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid (CID 43239493) is 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)C1(c2ccccc2)CC1.
What is the InChIKey of 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is FQGYYRRAMMVVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-13(18)12-7-4-10-16(12)14(19)15(8-9-15)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,17,18).
What are the key properties of 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid?
1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43239493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).