methyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]acetate

C16H29NO3 — CID 102848064

IUPACmethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OC)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H29NO3/c1-3-11-17(13-15(18)19-2)12-14-7-10-16(20-14)8-5-4-6-9-16/h14H,3-13H2,1-2H3
InChIKeyHSGPFUGWBKUHNV-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.75
Rot. Bonds6

About methyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]acetate

methyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]acetate (PubChem CID 102848064) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is methyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]acetate
PubChem CID102848064
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Namemethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OC)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H29NO3/c1-3-11-17(13-15(18)19-2)12-14-7-10-16(20-14)8-5-4-6-9-16/h14H,3-13H2,1-2H3
InChIKeyHSGPFUGWBKUHNV-UHFFFAOYSA-N
XLogP2.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-Cyclohexylpropoxy)-2-oxoethyl]-1-methylpyrrolidinium iodide
CID 16189769
3-Cyclohexylpropyl 2-(methylpyrrolidinyl)acetate
CID 1613377
2-[1-Oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 102899244
[(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate
CID 58176271
carbanide;[(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate;yttrium
CID 162113705
(4-Methylcyclohexyl) 2-[di(nonyl)amino]acetate
CID 170755024
Methyl 3-[cyclohexylmethyl(oxolan-2-ylmethyl)amino]propanoate
CID 60318497
Methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboxylate
CID 102848049
Methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylate
CID 102848053
Methyl 2-methyl-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanoate
CID 102848062
Ethyl 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate
CID 102848068
Ethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(prop-2-enyl)amino]acetate
CID 102848069

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]acetate?
The IUPAC name of methyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]acetate (CID 102848064) is methyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]acetate.
What is the SMILES notation for methyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]acetate?
The canonical SMILES for methyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]acetate is CCCN(CC(=O)OC)CC1CCC2(CCCCC2)O1.
What is the InChIKey of methyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]acetate?
The InChIKey is HSGPFUGWBKUHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-3-11-17(13-15(18)19-2)12-14-7-10-16(20-14)8-5-4-6-9-16/h14H,3-13H2,1-2H3.
What are the key properties of methyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]acetate?
methyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]acetate has a molecular weight of 283.41 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]acetate is sourced from PubChem (CID 102848064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).