4-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid

C11H20N2O2 — CID 117269878

IUPAC4-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCN1CCC(C2CNC(C(=O)O)C2)CC1
InChIInChI=1S/C11H20N2O2/c1-13-4-2-8(3-5-13)9-6-10(11(14)15)12-7-9/h8-10,12H,2-7H2,1H3,(H,14,15)
InChIKeySQBWODAVWMDEKE-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.39
Rot. Bonds2

About 4-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid

4-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 117269878) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID117269878
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCN1CCC(C2CNC(C(=O)O)C2)CC1
InChIInChI=1S/C11H20N2O2/c1-13-4-2-8(3-5-13)9-6-10(11(14)15)12-7-9/h8-10,12H,2-7H2,1H3,(H,14,15)
InChIKeySQBWODAVWMDEKE-UHFFFAOYSA-N
XLogP0.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
CID 70087919
(3S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
CID 23238234
(3S,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
CID 23238236
4-(thian-3-yl)pyrrolidine-2-carboxylic acid
CID 117269957
2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoacetic acid
CID 58136033
methane;1-methyl-4-(1-methylpiperidin-4-yl)piperidine
CID 158947160
4-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 71952985
1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]ethanone
CID 142076983
methyl (2S,4S)-4-cyclopentylpyrrolidine-2-carboxylate
CID 163224942
4-(1-ethylpyrrolidin-3-yl)piperidine-2-carboxylic acid
CID 117258254
1-methylpiperidine-4-carboxylic acid;hydrate
CID 69434793
(2S)-4-propan-2-ylpyrrolidine-2-carboxylic acid
CID 54517485

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid (CID 117269878) is 4-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid is CN1CCC(C2CNC(C(=O)O)C2)CC1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is SQBWODAVWMDEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-13-4-2-8(3-5-13)9-6-10(11(14)15)12-7-9/h8-10,12H,2-7H2,1H3,(H,14,15).
What are the key properties of 4-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid?
4-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 117269878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).