(2S)-1-(4,4-dimethylpiperidin-2-yl)pyrrolidine-2-carboxylic acid

C12H22N2O2 — CID 54051938

IUPAC(2S)-1-(4,4-dimethylpiperidin-2-yl)pyrrolidine-2-carboxylic acid
SMILESCC1(C)CCNC(N2CCC[C@H]2C(=O)O)C1
InChIInChI=1S/C12H22N2O2/c1-12(2)5-6-13-10(8-12)14-7-3-4-9(14)11(15)16/h9-10,13H,3-8H2,1-2H3,(H,15,16)/t9-,10?/m0/s1
InChIKeyLTMVTALCPCFCBG-RGURZIINSA-N
MW226.32 g/mol
LogP1.27
Rot. Bonds2

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

(2S)-1-(4,4-dimethylpiperidin-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 54051938) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2S)-1-(4,4-dimethylpiperidin-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(4,4-dimethylpiperidin-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID54051938
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(2S)-1-(4,4-dimethylpiperidin-2-yl)pyrrolidine-2-carboxylic acid
SMILESCC1(C)CCNC(N2CCC[C@H]2C(=O)O)C1
InChIInChI=1S/C12H22N2O2/c1-12(2)5-6-13-10(8-12)14-7-3-4-9(14)11(15)16/h9-10,13H,3-8H2,1-2H3,(H,15,16)/t9-,10?/m0/s1
InChIKeyLTMVTALCPCFCBG-RGURZIINSA-N
XLogP1.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4,4-dimethylpiperidin-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(4,4-dimethylpiperidin-2-yl)pyrrolidine-2-carboxylic acid (CID 54051938) is (2S)-1-(4,4-dimethylpiperidin-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(4,4-dimethylpiperidin-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(4,4-dimethylpiperidin-2-yl)pyrrolidine-2-carboxylic acid is CC1(C)CCNC(N2CCC[C@H]2C(=O)O)C1.
What is the InChIKey of (2S)-1-(4,4-dimethylpiperidin-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is LTMVTALCPCFCBG-RGURZIINSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2)5-6-13-10(8-12)14-7-3-4-9(14)11(15)16/h9-10,13H,3-8H2,1-2H3,(H,15,16)/t9-,10?/m0/s1.
What are the key properties of (2S)-1-(4,4-dimethylpiperidin-2-yl)pyrrolidine-2-carboxylic acid?
(2S)-1-(4,4-dimethylpiperidin-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 226.32 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4,4-dimethylpiperidin-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54051938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).