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

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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).