2-[3-methyl-1-(2-propylpiperidine-1-carbonyl)azetidin-3-yl]oxyacetic acid

C15H26N2O4 — CID 102659090

IUPAC2-[3-methyl-1-(2-propylpiperidine-1-carbonyl)azetidin-3-yl]oxyacetic acid
SMILESCCCC1CCCCN1C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C15H26N2O4/c1-3-6-12-7-4-5-8-17(12)14(20)16-10-15(2,11-16)21-9-13(18)19/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyQJUGNMTYQGFMRP-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.94
Rot. Bonds5

About 2-[3-methyl-1-(2-propylpiperidine-1-carbonyl)azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-(2-propylpiperidine-1-carbonyl)azetidin-3-yl]oxyacetic acid (PubChem CID 102659090) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[3-methyl-1-(2-propylpiperidine-1-carbonyl)azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(2-propylpiperidine-1-carbonyl)azetidin-3-yl]oxyacetic acid
PubChem CID102659090
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[3-methyl-1-(2-propylpiperidine-1-carbonyl)azetidin-3-yl]oxyacetic acid
SMILESCCCC1CCCCN1C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C15H26N2O4/c1-3-6-12-7-4-5-8-17(12)14(20)16-10-15(2,11-16)21-9-13(18)19/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyQJUGNMTYQGFMRP-UHFFFAOYSA-N
XLogP1.94
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-propylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 83045912
2-[1-(cycloheptanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657218
(3S)-1-(2-propylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 83055984
2-[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658799
6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid
CID 83052295
3-[1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidin-2-yl]propanoic acid
CID 103357315
2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 106670657
2-[1-(4-hydroxy-3-methylpiperidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659203
2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61181297
cyclopentyl 2-propylpiperidine-1-carboxylate
CID 112738861
2-[1-(4-aminocyclohexanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658225
2-bromo-1-(2-propylpiperidin-1-yl)ethanone
CID 83053246

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(2-propylpiperidine-1-carbonyl)azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-(2-propylpiperidine-1-carbonyl)azetidin-3-yl]oxyacetic acid (CID 102659090) is 2-[3-methyl-1-(2-propylpiperidine-1-carbonyl)azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-(2-propylpiperidine-1-carbonyl)azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-(2-propylpiperidine-1-carbonyl)azetidin-3-yl]oxyacetic acid is CCCC1CCCCN1C(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[3-methyl-1-(2-propylpiperidine-1-carbonyl)azetidin-3-yl]oxyacetic acid?
The InChIKey is QJUGNMTYQGFMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-6-12-7-4-5-8-17(12)14(20)16-10-15(2,11-16)21-9-13(18)19/h12H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[3-methyl-1-(2-propylpiperidine-1-carbonyl)azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-(2-propylpiperidine-1-carbonyl)azetidin-3-yl]oxyacetic acid has a molecular weight of 298.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(2-propylpiperidine-1-carbonyl)azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).