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

C11H20N2O2 — CID 51892046

IUPAC(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCN1CCC(N2CCC[C@H]2C(=O)O)CC1
InChIInChI=1S/C11H20N2O2/c1-12-7-4-9(5-8-12)13-6-2-3-10(13)11(14)15/h9-10H,2-8H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyMOKLWZHBFQXNCV-JTQLQIEISA-N
MW212.29 g/mol
LogP0.63
Rot. Bonds2

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

(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 51892046) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID51892046
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCN1CCC(N2CCC[C@H]2C(=O)O)CC1
InChIInChI=1S/C11H20N2O2/c1-12-7-4-9(5-8-12)13-6-2-3-10(13)11(14)15/h9-10H,2-8H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyMOKLWZHBFQXNCV-JTQLQIEISA-N
XLogP0.63
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylazepan-4-yl)pyrrolidine-2-carboxylic acid
CID 65073070
(2S)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylic acid
CID 68690983
1-(1-methylazepan-4-yl)azepane-2-carboxylic acid
CID 65072667
(2S)-1-(1-methylpyrrolidin-3-yl)pyrrolidine-2-carboxylic acid
CID 83618259
1-(1-methylpyrrolidin-3-yl)piperidine-2-carboxylic acid
CID 65053957
(2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
CID 141195485
N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 118534964
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid
CID 19990612
(2S)-1-(4,4-dimethylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 110838436
1-(4-propan-2-ylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 65056479
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid;hydrochloride
CID 67945691
(2R)-1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 51980118

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid (CID 51892046) is (2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid is CN1CCC(N2CCC[C@H]2C(=O)O)CC1.
What is the InChIKey of (2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is MOKLWZHBFQXNCV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20N2O2/c1-12-7-4-9(5-8-12)13-6-2-3-10(13)11(14)15/h9-10H,2-8H2,1H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid?
(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 51892046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).