ethyl 2-[(6S,10R)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetate

C16H29NO3 — CID 7241657

IUPACethyl 2-[(6S,10R)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetate
SMILESCCOC(=O)CN1CCC[C@@]2(CCO[C@](C)(CC)C2)C1
InChIInChI=1S/C16H29NO3/c1-4-15(3)12-16(8-10-20-15)7-6-9-17(13-16)11-14(18)19-5-2/h4-13H2,1-3H3/t15-,16+/m1/s1
InChIKeyRSCZUIAEMWCUHG-CVEARBPZSA-N
MW283.41 g/mol
LogP2.61
Rot. Bonds4

About ethyl 2-[(6S,10R)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetate

ethyl 2-[(6S,10R)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetate (PubChem CID 7241657) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is ethyl 2-[(6S,10R)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(6S,10R)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetate
PubChem CID7241657
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nameethyl 2-[(6S,10R)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetate
SMILESCCOC(=O)CN1CCC[C@@]2(CCO[C@](C)(CC)C2)C1
InChIInChI=1S/C16H29NO3/c1-4-15(3)12-16(8-10-20-15)7-6-9-17(13-16)11-14(18)19-5-2/h4-13H2,1-3H3/t15-,16+/m1/s1
InChIKeyRSCZUIAEMWCUHG-CVEARBPZSA-N
XLogP2.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(6S,10R)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetate with MolForge

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Related Compounds

(6R,10S)-10-ethyl-10-methyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane
CID 94798251
2-[(6R,10S)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylethanol
CID 7302177
ethyl 2-(7-azaspiro[3.5]nonan-7-yl)acetate
CID 71244403
ethyl 2-(azocan-1-yl)acetate
CID 25219274
ethyl 2-[7-(2-methylbenzoyl)-2,7-diazaspiro[4.5]decan-2-yl]acetate
CID 56752575
ethyl 4-(2,2-dimethylmorpholin-4-yl)-3-oxobutanoate
CID 63898681
ethyl 2-(3-oxaspiro[5.5]undecan-4-yl)acetate
CID 134907720
sodium;ethyl 2-[4,7,10-tris(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;iodide
CID 23722784
ethyl 2-[4,8-bis(2-ethoxy-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetate
CID 59227643
ethyl 4-(4-hydroxy-4-methylazepan-1-yl)-3-oxobutanoate
CID 107405359
2-ethyl-4-methoxy-2-methyloxane-4-carboxylic acid
CID 116769407
ethyl 3-(3-methoxy-3-methylpiperidin-1-yl)propanoate
CID 107393414

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6S,10R)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetate?
The IUPAC name of ethyl 2-[(6S,10R)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetate (CID 7241657) is ethyl 2-[(6S,10R)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(6S,10R)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetate?
The canonical SMILES for ethyl 2-[(6S,10R)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetate is CCOC(=O)CN1CCC[C@@]2(CCO[C@](C)(CC)C2)C1.
What is the InChIKey of ethyl 2-[(6S,10R)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetate?
The InChIKey is RSCZUIAEMWCUHG-CVEARBPZSA-N. The full InChI is InChI=1S/C16H29NO3/c1-4-15(3)12-16(8-10-20-15)7-6-9-17(13-16)11-14(18)19-5-2/h4-13H2,1-3H3/t15-,16+/m1/s1.
What are the key properties of ethyl 2-[(6S,10R)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetate?
ethyl 2-[(6S,10R)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetate has a molecular weight of 283.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6S,10R)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetate is sourced from PubChem (CID 7241657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).