4-methyl-6-(2-methylazetidin-1-yl)hexanoic acid

C11H21NO2 — CID 79695733

IUPAC4-methyl-6-(2-methylazetidin-1-yl)hexanoic acid
SMILESCC(CCC(=O)O)CCN1CCC1C
InChIInChI=1S/C11H21NO2/c1-9(3-4-11(13)14)5-7-12-8-6-10(12)2/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyPDNCLGDIFTUIRD-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds6

About 4-methyl-6-(2-methylazetidin-1-yl)hexanoic acid

4-methyl-6-(2-methylazetidin-1-yl)hexanoic acid (PubChem CID 79695733) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-methyl-6-(2-methylazetidin-1-yl)hexanoic acid.

Molecular Properties

Compound Name4-methyl-6-(2-methylazetidin-1-yl)hexanoic acid
PubChem CID79695733
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-methyl-6-(2-methylazetidin-1-yl)hexanoic acid
SMILESCC(CCC(=O)O)CCN1CCC1C
InChIInChI=1S/C11H21NO2/c1-9(3-4-11(13)14)5-7-12-8-6-10(12)2/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyPDNCLGDIFTUIRD-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]hexanoic acid
CID 79680349
6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-methylhexanoic acid
CID 114679610
6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid
CID 174674444
2-(2-methylpyrrolidin-1-yl)pentanedioic acid
CID 79680347
6-(3,3-diethylazetidin-1-yl)-4-methylhexanoic acid
CID 79695309
4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid
CID 64894440
2-(2-methylazetidin-1-yl)ethanamine
CID 79677018
7-amino-4-methylheptanoic acid
CID 57310581
9-cyclopropyl-4-methylnonanoic acid
CID 142774647
2-methyl-1-(4-methylpentyl)piperidine-4-carboxylic acid
CID 106745070
3-[3-(2-methylpiperidin-1-yl)propanoylamino]butanoic acid
CID 53215711
4-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 82682847

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-methylazetidin-1-yl)hexanoic acid?
The IUPAC name of 4-methyl-6-(2-methylazetidin-1-yl)hexanoic acid (CID 79695733) is 4-methyl-6-(2-methylazetidin-1-yl)hexanoic acid.
What is the SMILES notation for 4-methyl-6-(2-methylazetidin-1-yl)hexanoic acid?
The canonical SMILES for 4-methyl-6-(2-methylazetidin-1-yl)hexanoic acid is CC(CCC(=O)O)CCN1CCC1C.
What is the InChIKey of 4-methyl-6-(2-methylazetidin-1-yl)hexanoic acid?
The InChIKey is PDNCLGDIFTUIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(3-4-11(13)14)5-7-12-8-6-10(12)2/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-methyl-6-(2-methylazetidin-1-yl)hexanoic acid?
4-methyl-6-(2-methylazetidin-1-yl)hexanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-methylazetidin-1-yl)hexanoic acid is sourced from PubChem (CID 79695733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).