(2R)-1-(2-cyclopent-2-en-1-ylacetyl)piperidine-2-carboxylic acid

C13H19NO3 — CID 79034852

IUPAC(2R)-1-(2-cyclopent-2-en-1-ylacetyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)CC1C=CCC1
InChIInChI=1S/C13H19NO3/c15-12(9-10-5-1-2-6-10)14-8-4-3-7-11(14)13(16)17/h1,5,10-11H,2-4,6-9H2,(H,16,17)/t10?,11-/m1/s1
InChIKeyMUWBJXZEXGIYJD-RRKGBCIJSA-N
MW237.30 g/mol
LogP1.81
Rot. Bonds3

About (2R)-1-(2-cyclopent-2-en-1-ylacetyl)piperidine-2-carboxylic acid

(2R)-1-(2-cyclopent-2-en-1-ylacetyl)piperidine-2-carboxylic acid (PubChem CID 79034852) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2R)-1-(2-cyclopent-2-en-1-ylacetyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-cyclopent-2-en-1-ylacetyl)piperidine-2-carboxylic acid
PubChem CID79034852
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(2R)-1-(2-cyclopent-2-en-1-ylacetyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)CC1C=CCC1
InChIInChI=1S/C13H19NO3/c15-12(9-10-5-1-2-6-10)14-8-4-3-7-11(14)13(16)17/h1,5,10-11H,2-4,6-9H2,(H,16,17)/t10?,11-/m1/s1
InChIKeyMUWBJXZEXGIYJD-RRKGBCIJSA-N
XLogP1.81
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-2-carboxylic acid
CID 61137940
[(2R)-1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperidin-2-yl]methylurea
CID 95298528
1-(2-cyclopent-2-en-1-ylacetyl)-N-phenylpyrrolidine-2-carboxamide
CID 47022864
2-[(1S)-cyclopent-2-en-1-yl]-1-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 95602617
2-[(1S)-cyclopent-2-en-1-yl]-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 95602618
1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 136558034
(2R)-1-(2-aminoacetyl)piperidine-2-carboxylic acid
CID 79034620
1-(2-pyrrolidin-1-ylacetyl)piperidine-2-carboxylic acid
CID 68753456
(2R)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid
CID 30046872
(2R)-1-[2-(1-aminocyclobutyl)acetyl]piperidine-2-carboxylic acid
CID 79854851
1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3,4-dicarboxylic acid
CID 115918261
2-[(1R)-cyclopent-2-en-1-yl]-1-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 52872238

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-cyclopent-2-en-1-ylacetyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-cyclopent-2-en-1-ylacetyl)piperidine-2-carboxylic acid (CID 79034852) is (2R)-1-(2-cyclopent-2-en-1-ylacetyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-cyclopent-2-en-1-ylacetyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-cyclopent-2-en-1-ylacetyl)piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)CC1C=CCC1.
What is the InChIKey of (2R)-1-(2-cyclopent-2-en-1-ylacetyl)piperidine-2-carboxylic acid?
The InChIKey is MUWBJXZEXGIYJD-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H19NO3/c15-12(9-10-5-1-2-6-10)14-8-4-3-7-11(14)13(16)17/h1,5,10-11H,2-4,6-9H2,(H,16,17)/t10?,11-/m1/s1.
What are the key properties of (2R)-1-(2-cyclopent-2-en-1-ylacetyl)piperidine-2-carboxylic acid?
(2R)-1-(2-cyclopent-2-en-1-ylacetyl)piperidine-2-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-cyclopent-2-en-1-ylacetyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 79034852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).