3-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-3-carboxylic acid

C14H24N2O4 — CID 102656171

IUPAC3-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)COC2(C)CNC2)C1
InChIInChI=1S/C14H24N2O4/c1-3-14(12(18)19)5-4-6-16(10-14)11(17)7-20-13(2)8-15-9-13/h15H,3-10H2,1-2H3,(H,18,19)
InChIKeyHBCVYTUWNSSCAZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.47
Rot. Bonds5

About 3-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-3-carboxylic acid

3-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-3-carboxylic acid (PubChem CID 102656171) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-3-carboxylic acid
PubChem CID102656171
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name3-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)COC2(C)CNC2)C1
InChIInChI=1S/C14H24N2O4/c1-3-14(12(18)19)5-4-6-16(10-14)11(17)7-20-13(2)8-15-9-13/h15H,3-10H2,1-2H3,(H,18,19)
InChIKeyHBCVYTUWNSSCAZ-UHFFFAOYSA-N
XLogP0.47
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-methylazetidin-3-yl)oxyacetyl]-3-propylpiperidine-3-carboxylic acid
CID 102656172
4-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-4-carboxylic acid
CID 102656168
(3R)-3-ethyl-1-(2-methylsulfanylacetyl)piperidine-3-carboxylic acid
CID 95017438
3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid
CID 63135585
1-[2-(1,4-diazepan-1-yl)acetyl]-3-ethylpiperidine-3-carboxylic acid
CID 63134718
3-ethyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 63136382
1-(1,4-diazepane-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid
CID 63136520
1-(azepan-1-yl)-2-(3-methylpiperidin-3-yl)oxyethanone
CID 107385595
1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid
CID 55164336
3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid
CID 63146724
1-(3,4-dimethylpyrrolidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone
CID 102611691
3-ethyl-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid
CID 63138089

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-3-carboxylic acid (CID 102656171) is 3-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)COC2(C)CNC2)C1.
What is the InChIKey of 3-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-3-carboxylic acid?
The InChIKey is HBCVYTUWNSSCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-14(12(18)19)5-4-6-16(10-14)11(17)7-20-13(2)8-15-9-13/h15H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 3-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-3-carboxylic acid?
3-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 102656171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).