2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethoxy]acetic acid

C14H25NO6 — CID 139578894

IUPAC2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethoxy]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC(OCCOCC(=O)O)CC1
InChIInChI=1S/C14H25NO6/c1-14(2,3)21-13(18)15-6-4-11(5-7-15)20-9-8-19-10-12(16)17/h11H,4-10H2,1-3H3,(H,16,17)
InChIKeyPVBYPTZFGBHFJD-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.50
Rot. Bonds6

About 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethoxy]acetic acid

2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethoxy]acetic acid (PubChem CID 139578894) has the molecular formula C14H25NO6 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethoxy]acetic acid
PubChem CID139578894
Molecular FormulaC14H25NO6
Molecular Weight303.36 g/mol
Exact Mass303.17
IUPAC Name2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethoxy]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC(OCCOCC(=O)O)CC1
InChIInChI=1S/C14H25NO6/c1-14(2,3)21-13(18)15-6-4-11(5-7-15)20-9-8-19-10-12(16)17/h11H,4-10H2,1-3H3,(H,16,17)
InChIKeyPVBYPTZFGBHFJD-UHFFFAOYSA-N
XLogP1.50
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 155783169
tert-butyl 4-[2-(2-azidoethoxy)ethoxy]piperidine-1-carboxylate
CID 150104967
tert-butyl 4-(6-methoxyhexoxy)piperidine-1-carboxylate
CID 22492952
tert-butyl 4-(7-bromoheptoxy)piperidine-1-carboxylate
CID 171081710
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyacetate
CID 6987532
tert-butyl 4-(2-methylprop-2-enoxy)piperidine-1-carboxylate
CID 129278353
tert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate
CID 70848320
tert-butyl 4-(2-aminoprop-2-enoxy)piperidine-1-carboxylate
CID 143388075
tert-butyl 4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]oxypiperidine-1-carboxylate
CID 155783145
2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethylamino]butanoic acid
CID 107252354
tert-butyl 4-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 171081523
tert-butyl 4-[2-(trioxidanylsulfanyl)ethoxy]piperidine-1-carboxylate
CID 58676257

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethoxy]acetic acid?
The IUPAC name of 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethoxy]acetic acid (CID 139578894) is 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethoxy]acetic acid.
What is the SMILES notation for 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethoxy]acetic acid?
The canonical SMILES for 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethoxy]acetic acid is CC(C)(C)OC(=O)N1CCC(OCCOCC(=O)O)CC1.
What is the InChIKey of 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethoxy]acetic acid?
The InChIKey is PVBYPTZFGBHFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO6/c1-14(2,3)21-13(18)15-6-4-11(5-7-15)20-9-8-19-10-12(16)17/h11H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethoxy]acetic acid?
2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethoxy]acetic acid has a molecular weight of 303.36 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethoxy]acetic acid is sourced from PubChem (CID 139578894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).