3-methyl-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid

C13H21NO4 — CID 107069717

IUPAC3-methyl-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid
SMILESCC1CCOC1C(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C13H21NO4/c1-8-4-3-6-14(10(8)13(16)17)12(15)11-9(2)5-7-18-11/h8-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyPZVHZGQVHULNCA-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.12
Rot. Bonds2

About 3-methyl-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid

3-methyl-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 107069717) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-methyl-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID107069717
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name3-methyl-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid
SMILESCC1CCOC1C(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C13H21NO4/c1-8-4-3-6-14(10(8)13(16)17)12(15)11-9(2)5-7-18-11/h8-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyPZVHZGQVHULNCA-UHFFFAOYSA-N
XLogP1.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid
CID 107175978
3-methyl-1-prop-2-ynoylpiperidine-2-carboxylic acid
CID 107069872
3-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 102775119
methyl (2R)-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylate
CID 81463255
1-[2-(hydroxymethyl)morpholine-4-carbonyl]-3-methylpiperidine-2-carboxylic acid
CID 107071792
3-methyl-1-prop-2-enoylpiperidine-2-carboxylic acid
CID 107069723
(2R,3S)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S,3R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 163339159
3-methyl-1-(3-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 107068667
(3-methyloxolan-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82755754
1-(2-ethylmorpholine-4-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071345
3-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-2-carboxylic acid
CID 107069118
3-methyl-1-propan-2-yloxycarbonylpiperidine-2-carboxylic acid
CID 107070014

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid (CID 107069717) is 3-methyl-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid is CC1CCOC1C(=O)N1CCCC(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is PZVHZGQVHULNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-8-4-3-6-14(10(8)13(16)17)12(15)11-9(2)5-7-18-11/h8-11H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid?
3-methyl-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 107069717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).