(3R)-5-oxo-1-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxylic acid

C12H20N2O3 — CID 29136485

IUPAC(3R)-5-oxo-1-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CC(=O)N(CCN2CCCCC2)C1
InChIInChI=1S/C12H20N2O3/c15-11-8-10(12(16)17)9-14(11)7-6-13-4-2-1-3-5-13/h10H,1-9H2,(H,16,17)/t10-/m1/s1
InChIKeyLAMLBQYCCDJPAV-SNVBAGLBSA-N
MW240.30 g/mol
LogP0.41
Rot. Bonds4

About (3R)-5-oxo-1-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxylic acid

(3R)-5-oxo-1-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxylic acid (PubChem CID 29136485) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is (3R)-5-oxo-1-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-5-oxo-1-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxylic acid
PubChem CID29136485
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name(3R)-5-oxo-1-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CC(=O)N(CCN2CCCCC2)C1
InChIInChI=1S/C12H20N2O3/c15-11-8-10(12(16)17)9-14(11)7-6-13-4-2-1-3-5-13/h10H,1-9H2,(H,16,17)/t10-/m1/s1
InChIKeyLAMLBQYCCDJPAV-SNVBAGLBSA-N
XLogP0.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83193064
1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 71757801
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
S-[5-oxo-1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl] ethanethioate
CID 168706004
5-oxo-1-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 22686439
1-(3-hydroxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83192927
4-(chloromethyl)-1-(2-piperidin-1-ylethyl)pyrrolidin-2-one
CID 168508249
1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 168696347
(3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 92755218
5-oxo-1-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide
CID 168697234
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-1-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-5-oxo-1-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxylic acid (CID 29136485) is (3R)-5-oxo-1-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-5-oxo-1-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-5-oxo-1-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CC(=O)N(CCN2CCCCC2)C1.
What is the InChIKey of (3R)-5-oxo-1-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is LAMLBQYCCDJPAV-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11-8-10(12(16)17)9-14(11)7-6-13-4-2-1-3-5-13/h10H,1-9H2,(H,16,17)/t10-/m1/s1.
What are the key properties of (3R)-5-oxo-1-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxylic acid?
(3R)-5-oxo-1-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-1-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 29136485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).