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

C17H31NO3 — CID 102848074

IUPACethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(CC1CCC2(CCCCC2)O1)C(C)C
InChIInChI=1S/C17H31NO3/c1-4-20-16(19)13-18(14(2)3)12-15-8-11-17(21-15)9-6-5-7-10-17/h14-15H,4-13H2,1-3H3
InChIKeyDJHIZRAXGIBWCS-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.14
Rot. Bonds6

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

ethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetate (PubChem CID 102848074) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is ethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetate
PubChem CID102848074
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Nameethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(CC1CCC2(CCCCC2)O1)C(C)C
InChIInChI=1S/C17H31NO3/c1-4-20-16(19)13-18(14(2)3)12-15-8-11-17(21-15)9-6-5-7-10-17/h14-15H,4-13H2,1-3H3
InChIKeyDJHIZRAXGIBWCS-UHFFFAOYSA-N
XLogP3.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.14
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 ethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetate (CID 102848074) is ethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetate is CCOC(=O)CN(CC1CCC2(CCCCC2)O1)C(C)C.
What is the InChIKey of ethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetate?
The InChIKey is DJHIZRAXGIBWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-4-20-16(19)13-18(14(2)3)12-15-8-11-17(21-15)9-6-5-7-10-17/h14-15H,4-13H2,1-3H3.
What are the key properties of ethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetate?
ethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetate has a molecular weight of 297.44 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 102848074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).