1-(2-piperidin-1-ylacetyl)pyrrolidine-2-carboxylic acid

C12H20N2O3 — CID 82041542

IUPAC1-(2-piperidin-1-ylacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)CN1CCCCC1
InChIInChI=1S/C12H20N2O3/c15-11(9-13-6-2-1-3-7-13)14-8-4-5-10(14)12(16)17/h10H,1-9H2,(H,16,17)
InChIKeyRQZMSWDXDOMAQA-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.55
Rot. Bonds3

About 1-(2-piperidin-1-ylacetyl)pyrrolidine-2-carboxylic acid

1-(2-piperidin-1-ylacetyl)pyrrolidine-2-carboxylic acid (PubChem CID 82041542) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylacetyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-piperidin-1-ylacetyl)pyrrolidine-2-carboxylic acid
PubChem CID82041542
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(2-piperidin-1-ylacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)CN1CCCCC1
InChIInChI=1S/C12H20N2O3/c15-11(9-13-6-2-1-3-7-13)14-8-4-5-10(14)12(16)17/h10H,1-9H2,(H,16,17)
InChIKeyRQZMSWDXDOMAQA-UHFFFAOYSA-N
XLogP0.55
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-pyrrolidin-1-ylacetyl)piperidine-2-carboxylic acid
CID 68753456
(2R)-1-(2-piperazin-1-ylacetyl)pyrrolidine-2-carboxylic acid
CID 78922997
1-(3-pyrrolidin-1-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 79024004
1-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 22717280
(2R)-1-(2-aminoacetyl)piperidine-2-carboxylic acid
CID 79034620
(2R)-1-[2-(2-oxoazocan-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119371463
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 68940110
1-(3-aminopropanoyl)azepane-2-carboxylic acid
CID 64564266
(2S)-1-(2-methylsulfanylacetyl)pyrrolidine-2-carboxylic acid
CID 13208313
1-[(3S,4S)-6-(2-carboxypyrrolidin-1-yl)-3,4-dihydroxy-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
CID 70274252
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864
1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid
CID 59676020

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylacetyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-piperidin-1-ylacetyl)pyrrolidine-2-carboxylic acid (CID 82041542) is 1-(2-piperidin-1-ylacetyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-piperidin-1-ylacetyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-piperidin-1-ylacetyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)CN1CCCCC1.
What is the InChIKey of 1-(2-piperidin-1-ylacetyl)pyrrolidine-2-carboxylic acid?
The InChIKey is RQZMSWDXDOMAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11(9-13-6-2-1-3-7-13)14-8-4-5-10(14)12(16)17/h10H,1-9H2,(H,16,17).
What are the key properties of 1-(2-piperidin-1-ylacetyl)pyrrolidine-2-carboxylic acid?
1-(2-piperidin-1-ylacetyl)pyrrolidine-2-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylacetyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82041542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).