4-piperidin-1-ylpyrrolidine-1,2-dicarboxylic acid

C11H18N2O4 — CID 139534258

IUPAC4-piperidin-1-ylpyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)C1CC(N2CCCCC2)CN1C(=O)O
InChIInChI=1S/C11H18N2O4/c14-10(15)9-6-8(7-13(9)11(16)17)12-4-2-1-3-5-12/h8-9H,1-7H2,(H,14,15)(H,16,17)
InChIKeyQAVPZOWESBGROX-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.68
Rot. Bonds2

About 4-piperidin-1-ylpyrrolidine-1,2-dicarboxylic acid

4-piperidin-1-ylpyrrolidine-1,2-dicarboxylic acid (PubChem CID 139534258) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-piperidin-1-ylpyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name4-piperidin-1-ylpyrrolidine-1,2-dicarboxylic acid
PubChem CID139534258
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name4-piperidin-1-ylpyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)C1CC(N2CCCCC2)CN1C(=O)O
InChIInChI=1S/C11H18N2O4/c14-10(15)9-6-8(7-13(9)11(16)17)12-4-2-1-3-5-12/h8-9H,1-7H2,(H,14,15)(H,16,17)
InChIKeyQAVPZOWESBGROX-UHFFFAOYSA-N
XLogP0.68
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2-methyl-4-piperidin-1-ylpyrrolidine-1-carboxylic acid
CID 57115801
(2S,4S)-4-(azetidin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 155904953
(2S,4S)-1-phenylmethoxycarbonyl-4-piperidin-1-ylpyrrolidine-2-carboxylic acid
CID 70469193
(2S,4S)-pyrrolidine-1,2,4-tricarboxylic acid
CID 57440863
(2R,4R)-4-(pyrrolidine-1-carbonyl)pyrrolidine-1,2-dicarboxylic acid
CID 153347204
4-(cyclohexylmethyl)pyrrolidine-1,2-dicarboxylic acid
CID 90802821
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)azetidine-3-carboxylic acid
CID 165477842
4-(methylamino)pyrrolidine-1,2-dicarboxylic acid
CID 22181503
(2S,4R)-4-(2-cyclobutylethyl)pyrrolidine-1,2-dicarboxylic acid
CID 141105885
4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 69300951
(2S,4S)-4-cyanopyrrolidine-1,2-dicarboxylic acid
CID 91519767
(2S,4R)-4-propan-2-ylpyrrolidine-1,2-dicarboxylic acid
CID 170164416

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylpyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of 4-piperidin-1-ylpyrrolidine-1,2-dicarboxylic acid (CID 139534258) is 4-piperidin-1-ylpyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for 4-piperidin-1-ylpyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for 4-piperidin-1-ylpyrrolidine-1,2-dicarboxylic acid is O=C(O)C1CC(N2CCCCC2)CN1C(=O)O.
What is the InChIKey of 4-piperidin-1-ylpyrrolidine-1,2-dicarboxylic acid?
The InChIKey is QAVPZOWESBGROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c14-10(15)9-6-8(7-13(9)11(16)17)12-4-2-1-3-5-12/h8-9H,1-7H2,(H,14,15)(H,16,17).
What are the key properties of 4-piperidin-1-ylpyrrolidine-1,2-dicarboxylic acid?
4-piperidin-1-ylpyrrolidine-1,2-dicarboxylic acid has a molecular weight of 242.27 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylpyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 139534258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).