(2S)-2-piperidin-4-ylpyrrolidine-1-carboxylic acid

C10H18N2O2 — CID 134348850

IUPAC(2S)-2-piperidin-4-ylpyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@H]1C1CCNCC1
InChIInChI=1S/C10H18N2O2/c13-10(14)12-7-1-2-9(12)8-3-5-11-6-4-8/h8-9,11H,1-7H2,(H,13,14)/t9-/m0/s1
InChIKeyFWBWWKQLHIGLKV-VIFPVBQESA-N
MW198.27 g/mol
LogP1.13
Rot. Bonds1

About (2S)-2-piperidin-4-ylpyrrolidine-1-carboxylic acid

(2S)-2-piperidin-4-ylpyrrolidine-1-carboxylic acid (PubChem CID 134348850) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (2S)-2-piperidin-4-ylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-piperidin-4-ylpyrrolidine-1-carboxylic acid
PubChem CID134348850
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(2S)-2-piperidin-4-ylpyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@H]1C1CCNCC1
InChIInChI=1S/C10H18N2O2/c13-10(14)12-7-1-2-9(12)8-3-5-11-6-4-8/h8-9,11H,1-7H2,(H,13,14)/t9-/m0/s1
InChIKeyFWBWWKQLHIGLKV-VIFPVBQESA-N
XLogP1.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2-piperidin-4-ylpiperidin-1-yl)ethanone
CID 173143766
(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridine-1-carboxylic acid
CID 134496171
(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylic acid
CID 70398798
(2,6-dihydroxyphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 107688521
2-cyclohexyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]ethanone
CID 93394797
3-methoxy-3-methyl-1-(2-piperidin-4-ylpyrrolidin-1-yl)butan-1-one
CID 103019657
phenyl-[(2R)-2-piperidin-4-ylazepan-1-yl]methanone
CID 95241507
2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine-1-carboxylic acid
CID 57481548
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxylic acid
CID 22633033
3-phenyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]propan-1-one
CID 93394731
(2-methylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 60979228
(2-cyclopentylpyrrolidin-1-yl)-(4-methylpiperidin-4-yl)methanone
CID 63122988

Frequently Asked Questions

What is the IUPAC name of (2S)-2-piperidin-4-ylpyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-2-piperidin-4-ylpyrrolidine-1-carboxylic acid (CID 134348850) is (2S)-2-piperidin-4-ylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-piperidin-4-ylpyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-piperidin-4-ylpyrrolidine-1-carboxylic acid is O=C(O)N1CCC[C@H]1C1CCNCC1.
What is the InChIKey of (2S)-2-piperidin-4-ylpyrrolidine-1-carboxylic acid?
The InChIKey is FWBWWKQLHIGLKV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N2O2/c13-10(14)12-7-1-2-9(12)8-3-5-11-6-4-8/h8-9,11H,1-7H2,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-piperidin-4-ylpyrrolidine-1-carboxylic acid?
(2S)-2-piperidin-4-ylpyrrolidine-1-carboxylic acid has a molecular weight of 198.27 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-piperidin-4-ylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 134348850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).