2-methyl-1-(2-methyloxolan-3-yl)piperidine-2-carboxylic acid

C12H21NO3 — CID 104599130

IUPAC2-methyl-1-(2-methyloxolan-3-yl)piperidine-2-carboxylic acid
SMILESCC1OCCC1N1CCCCC1(C)C(=O)O
InChIInChI=1S/C12H21NO3/c1-9-10(5-8-16-9)13-7-4-3-6-12(13,2)11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyCMSZLGKRAYQJFS-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.49
Rot. Bonds2

About 2-methyl-1-(2-methyloxolan-3-yl)piperidine-2-carboxylic acid

2-methyl-1-(2-methyloxolan-3-yl)piperidine-2-carboxylic acid (PubChem CID 104599130) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-methyl-1-(2-methyloxolan-3-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(2-methyloxolan-3-yl)piperidine-2-carboxylic acid
PubChem CID104599130
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-methyl-1-(2-methyloxolan-3-yl)piperidine-2-carboxylic acid
SMILESCC1OCCC1N1CCCCC1(C)C(=O)O
InChIInChI=1S/C12H21NO3/c1-9-10(5-8-16-9)13-7-4-3-6-12(13,2)11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyCMSZLGKRAYQJFS-UHFFFAOYSA-N
XLogP1.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyloxolan-3-yl)piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(2-methyloxolan-3-yl)piperidine-2-carboxylic acid (CID 104599130) is 2-methyl-1-(2-methyloxolan-3-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(2-methyloxolan-3-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(2-methyloxolan-3-yl)piperidine-2-carboxylic acid is CC1OCCC1N1CCCCC1(C)C(=O)O.
What is the InChIKey of 2-methyl-1-(2-methyloxolan-3-yl)piperidine-2-carboxylic acid?
The InChIKey is CMSZLGKRAYQJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9-10(5-8-16-9)13-7-4-3-6-12(13,2)11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-1-(2-methyloxolan-3-yl)piperidine-2-carboxylic acid?
2-methyl-1-(2-methyloxolan-3-yl)piperidine-2-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyloxolan-3-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 104599130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).