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

C11H20N2O2 — CID 57115801

IUPAC(4S)-2-methyl-4-piperidin-1-ylpyrrolidine-1-carboxylic acid
SMILESCC1C[C@H](N2CCCCC2)CN1C(=O)O
InChIInChI=1S/C11H20N2O2/c1-9-7-10(8-13(9)11(14)15)12-5-3-2-4-6-12/h9-10H,2-8H2,1H3,(H,14,15)/t9?,10-/m0/s1
InChIKeyZCFANDXKFZMEOI-AXDSSHIGSA-N
MW212.29 g/mol
LogP1.61
Rot. Bonds1

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

(4S)-2-methyl-4-piperidin-1-ylpyrrolidine-1-carboxylic acid (PubChem CID 57115801) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (4S)-2-methyl-4-piperidin-1-ylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-methyl-4-piperidin-1-ylpyrrolidine-1-carboxylic acid
PubChem CID57115801
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(4S)-2-methyl-4-piperidin-1-ylpyrrolidine-1-carboxylic acid
SMILESCC1C[C@H](N2CCCCC2)CN1C(=O)O
InChIInChI=1S/C11H20N2O2/c1-9-7-10(8-13(9)11(14)15)12-5-3-2-4-6-12/h9-10H,2-8H2,1H3,(H,14,15)/t9?,10-/m0/s1
InChIKeyZCFANDXKFZMEOI-AXDSSHIGSA-N
XLogP1.61
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-piperidin-1-ylpyrrolidine-1,2-dicarboxylic acid
CID 139534258
1-(2-methyl-4-pyrrolidin-1-ylpyrrolidin-1-yl)prop-2-en-1-one;hydrochloride
CID 167986073
(2S)-1-[(2R,4R)-2-methyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]-2-phenylsulfanylbutan-1-one
CID 124881844
4-ethynyl-2-methylpyrrolidine-1-carboxylic acid
CID 90317127
(2S)-2-methyl-4-morpholin-4-ylpiperidine-1-carboxylic acid
CID 175187897
1-(3,7-dimethylcyclooctyl)piperidine
CID 167208270
2-(3-piperidin-1-ylazetidin-1-yl)propanoic acid
CID 83835259
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)azetidine-3-carboxylic acid
CID 165477842
(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid
CID 68628166
[(2R,4S)-2-methyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 124729193
(4R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxylic acid
CID 90779724
2-hydroxy-5-piperidin-1-ylcyclohexane-1-carboxylic acid
CID 71603394

Frequently Asked Questions

What is the IUPAC name of (4S)-2-methyl-4-piperidin-1-ylpyrrolidine-1-carboxylic acid?
The IUPAC name of (4S)-2-methyl-4-piperidin-1-ylpyrrolidine-1-carboxylic acid (CID 57115801) is (4S)-2-methyl-4-piperidin-1-ylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for (4S)-2-methyl-4-piperidin-1-ylpyrrolidine-1-carboxylic acid?
The canonical SMILES for (4S)-2-methyl-4-piperidin-1-ylpyrrolidine-1-carboxylic acid is CC1C[C@H](N2CCCCC2)CN1C(=O)O.
What is the InChIKey of (4S)-2-methyl-4-piperidin-1-ylpyrrolidine-1-carboxylic acid?
The InChIKey is ZCFANDXKFZMEOI-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9-7-10(8-13(9)11(14)15)12-5-3-2-4-6-12/h9-10H,2-8H2,1H3,(H,14,15)/t9?,10-/m0/s1.
What are the key properties of (4S)-2-methyl-4-piperidin-1-ylpyrrolidine-1-carboxylic acid?
(4S)-2-methyl-4-piperidin-1-ylpyrrolidine-1-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-methyl-4-piperidin-1-ylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 57115801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).