(2S,3R)-3-piperidin-1-ylpyrrolidine-2-carboxylic acid

C10H18N2O2 — CID 118101021

IUPAC(2S,3R)-3-piperidin-1-ylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1NCC[C@H]1N1CCCCC1
InChIInChI=1S/C10H18N2O2/c13-10(14)9-8(4-5-11-9)12-6-2-1-3-7-12/h8-9,11H,1-7H2,(H,13,14)/t8-,9+/m1/s1
InChIKeyWTHDDWOBPPDXOJ-BDAKNGLRSA-N
MW198.27 g/mol
LogP0.29
Rot. Bonds2

About (2S,3R)-3-piperidin-1-ylpyrrolidine-2-carboxylic acid

(2S,3R)-3-piperidin-1-ylpyrrolidine-2-carboxylic acid (PubChem CID 118101021) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (2S,3R)-3-piperidin-1-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-3-piperidin-1-ylpyrrolidine-2-carboxylic acid
PubChem CID118101021
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(2S,3R)-3-piperidin-1-ylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1NCC[C@H]1N1CCCCC1
InChIInChI=1S/C10H18N2O2/c13-10(14)9-8(4-5-11-9)12-6-2-1-3-7-12/h8-9,11H,1-7H2,(H,13,14)/t8-,9+/m1/s1
InChIKeyWTHDDWOBPPDXOJ-BDAKNGLRSA-N
XLogP0.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-1-ylpiperidine-2-carboxylic acid
CID 83835245
(1S,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-1-carboxylic acid
CID 11480691
3-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]pyrrolidine-2-carboxylic acid
CID 175727288
1-[(2R,3S)-2-methylpyrrolidin-3-yl]piperidine
CID 129321005
3-cycloheptylpyrrolidine-2-carboxylic acid
CID 79337893
5-[[(2S,3R)-3-piperidin-1-ylpyrrolidine-2-carbonyl]amino]-1-benzofuran-2-carboxylic acid;dihydrochloride
CID 118088689
(2R,3R)-piperazine-2,3-dicarboxylic acid
CID 29413693
1-azabicyclo[4.2.0]octane-7-carboxylic acid
CID 82651829
(2S)-3-aminopyrrolidine-2-carboxylic acid
CID 45092524
(2R,3R)-3-chloropyrrolidine-2-carboxylic acid
CID 55301751
1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid
CID 82653045
(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid
CID 7758382

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-piperidin-1-ylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,3R)-3-piperidin-1-ylpyrrolidine-2-carboxylic acid (CID 118101021) is (2S,3R)-3-piperidin-1-ylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,3R)-3-piperidin-1-ylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,3R)-3-piperidin-1-ylpyrrolidine-2-carboxylic acid is O=C(O)[C@H]1NCC[C@H]1N1CCCCC1.
What is the InChIKey of (2S,3R)-3-piperidin-1-ylpyrrolidine-2-carboxylic acid?
The InChIKey is WTHDDWOBPPDXOJ-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-10(14)9-8(4-5-11-9)12-6-2-1-3-7-12/h8-9,11H,1-7H2,(H,13,14)/t8-,9+/m1/s1.
What are the key properties of (2S,3R)-3-piperidin-1-ylpyrrolidine-2-carboxylic acid?
(2S,3R)-3-piperidin-1-ylpyrrolidine-2-carboxylic acid has a molecular weight of 198.27 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-piperidin-1-ylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 118101021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).