(2S)-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-2-carboxylic acid

C12H17NO3 — CID 61137940

IUPAC(2S)-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)CC1C=CCC1
InChIInChI=1S/C12H17NO3/c14-11(8-9-4-1-2-5-9)13-7-3-6-10(13)12(15)16/h1,4,9-10H,2-3,5-8H2,(H,15,16)/t9?,10-/m0/s1
InChIKeyCNRWNDQEHUKMSB-AXDSSHIGSA-N
MW223.27 g/mol
LogP1.42
Rot. Bonds3

About (2S)-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-2-carboxylic acid

(2S)-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-2-carboxylic acid (PubChem CID 61137940) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (2S)-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-2-carboxylic acid
PubChem CID61137940
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(2S)-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)CC1C=CCC1
InChIInChI=1S/C12H17NO3/c14-11(8-9-4-1-2-5-9)13-7-3-6-10(13)12(15)16/h1,4,9-10H,2-3,5-8H2,(H,15,16)/t9?,10-/m0/s1
InChIKeyCNRWNDQEHUKMSB-AXDSSHIGSA-N
XLogP1.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.42
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

(2R)-1-(2-cyclopent-2-en-1-ylacetyl)piperidine-2-carboxylic acid
CID 79034852
1-(2-cyclopent-2-en-1-ylacetyl)-N-phenylpyrrolidine-2-carboxamide
CID 47022864
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 68940110
2-cyclopent-2-en-1-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone
CID 47028445
1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 136558034
1-(3-aminopiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone
CID 61297208
1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3,4-dicarboxylic acid
CID 115918261
(2R)-1-(2-aminoacetyl)piperidine-2-carboxylic acid
CID 79034620
2-cyclopent-2-en-1-yl-1-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]ethanone
CID 51308003
(2S)-1-[2-(cyclopropylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 61174194
2-[(1S)-cyclopent-2-en-1-yl]-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 95602618
1-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 22717280

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-2-carboxylic acid (CID 61137940) is (2S)-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)CC1C=CCC1.
What is the InChIKey of (2S)-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-2-carboxylic acid?
The InChIKey is CNRWNDQEHUKMSB-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H17NO3/c14-11(8-9-4-1-2-5-9)13-7-3-6-10(13)12(15)16/h1,4,9-10H,2-3,5-8H2,(H,15,16)/t9?,10-/m0/s1.
What are the key properties of (2S)-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-2-carboxylic acid has a molecular weight of 223.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61137940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).