2-[2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid

C14H25NO4 — CID 83851665

IUPAC2-[2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
SMILESCCC1C(CC(=O)O)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO4/c1-5-11-10(9-12(16)17)7-6-8-15(11)13(18)19-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,16,17)
InChIKeyASOHINSQKUHWBD-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.89
Rot. Bonds3

About 2-[2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid

2-[2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid (PubChem CID 83851665) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
PubChem CID83851665
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-[2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
SMILESCCC1C(CC(=O)O)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO4/c1-5-11-10(9-12(16)17)7-6-8-15(11)13(18)19-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,16,17)
InChIKeyASOHINSQKUHWBD-UHFFFAOYSA-N
XLogP2.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(bromomethyl)-2-ethylpyrrolidine-1-carboxylate
CID 131021142
tert-butyl (2R,3S)-2-ethyl-3-methylpyrrolidine-1-carboxylate
CID 170139098
2-[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
CID 83488189
tert-butyl 2-(hydroxymethyl)-3-(2-methylpropyl)piperidine-1-carboxylate
CID 163245918
tert-butyl 2,3-bis(cyanomethyl)piperidine-1-carboxylate
CID 175343955
2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-3-yl]acetic acid
CID 83489039
tert-butyl (2S,3R)-3-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate
CID 11276298
1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;propane
CID 144591642
tert-butyl 2-ethoxypyrrolidine-1-carboxylate
CID 11171930
tert-butyl 3-amino-2-(fluoromethyl)piperidine-1-carboxylate
CID 155895330
(2S)-3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 57368640
(3S)-3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 45358665

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid (CID 83851665) is 2-[2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid is CCC1C(CC(=O)O)CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of 2-[2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid?
The InChIKey is ASOHINSQKUHWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-5-11-10(9-12(16)17)7-6-8-15(11)13(18)19-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 2-[2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid?
2-[2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid has a molecular weight of 271.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 83851665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).