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

C16H29NO3 — CID 102848123

IUPACmethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(CC1CCC2(CCCCC2)O1)C(C)C
InChIInChI=1S/C16H29NO3/c1-13(2)17(12-15(18)19-3)11-14-7-10-16(20-14)8-5-4-6-9-16/h13-14H,4-12H2,1-3H3
InChIKeyJWHCUNAGWXSHJJ-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.75
Rot. Bonds5

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

methyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetate (PubChem CID 102848123) 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(propan-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetate
PubChem CID102848123
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Namemethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(CC1CCC2(CCCCC2)O1)C(C)C
InChIInChI=1S/C16H29NO3/c1-13(2)17(12-15(18)19-3)11-14-7-10-16(20-14)8-5-4-6-9-16/h13-14H,4-12H2,1-3H3
InChIKeyJWHCUNAGWXSHJJ-UHFFFAOYSA-N
XLogP2.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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

(2S)-1-cyclohexylpropan-2-yl 1-cyanopyrrolidine-2-carboxylate
CID 44391459
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
Ethyl 2-[1-oxaspiro[5.5]undecan-4-yl(propyl)amino]acetate
CID 79909561
Ethyl 2-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]acetate
CID 79909779
Ethyl 1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate
CID 79909785
Ethyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate
CID 79919284
Methyl 2-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]acetate
CID 79919511
Methyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate
CID 79919751
Methyl 1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate
CID 79919753

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetate?
The IUPAC name of methyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetate (CID 102848123) is methyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetate is COC(=O)CN(CC1CCC2(CCCCC2)O1)C(C)C.
What is the InChIKey of methyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetate?
The InChIKey is JWHCUNAGWXSHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-13(2)17(12-15(18)19-3)11-14-7-10-16(20-14)8-5-4-6-9-16/h13-14H,4-12H2,1-3H3.
What are the key properties of methyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetate?
methyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetate has a molecular weight of 283.41 g/mol, XLogP of 2.75, 5 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(propan-2-yl)amino]acetate is sourced from PubChem (CID 102848123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).