methyl 2-[(3R)-1-oxa-9-azaspiro[5.5]undecan-3-yl]acetate

C12H21NO3 — CID 129359429

IUPACmethyl 2-[(3R)-1-oxa-9-azaspiro[5.5]undecan-3-yl]acetate
SMILESCOC(=O)C[C@H]1CCC2(CCNCC2)OC1
InChIInChI=1S/C12H21NO3/c1-15-11(14)8-10-2-3-12(16-9-10)4-6-13-7-5-12/h10,13H,2-9H2,1H3/t10-/m1/s1
InChIKeySKDQEKZNBRLGCR-SNVBAGLBSA-N
MW227.30 g/mol
LogP1.10
Rot. Bonds2

About methyl 2-[(3R)-1-oxa-9-azaspiro[5.5]undecan-3-yl]acetate

methyl 2-[(3R)-1-oxa-9-azaspiro[5.5]undecan-3-yl]acetate (PubChem CID 129359429) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl 2-[(3R)-1-oxa-9-azaspiro[5.5]undecan-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3R)-1-oxa-9-azaspiro[5.5]undecan-3-yl]acetate
PubChem CID129359429
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl 2-[(3R)-1-oxa-9-azaspiro[5.5]undecan-3-yl]acetate
SMILESCOC(=O)C[C@H]1CCC2(CCNCC2)OC1
InChIInChI=1S/C12H21NO3/c1-15-11(14)8-10-2-3-12(16-9-10)4-6-13-7-5-12/h10,13H,2-9H2,1H3/t10-/m1/s1
InChIKeySKDQEKZNBRLGCR-SNVBAGLBSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

acetic acid;methyl 2-pyrrolidin-3-ylacetate
CID 70009063
methyl (2R)-1-oxa-8-azaspiro[4.5]decane-2-carboxylate
CID 97295038
methyl 2-piperidin-3-ylacetate;dihydrochloride
CID 141033576
methyl 2-spiro[5.5]undecan-3-ylacetate
CID 118404685
methyl 2-(6-methylpiperidin-3-yl)acetate
CID 142278548
1-oxa-8-azaspiro[4.5]decan-3-yl N-ethylcarbamate
CID 102930703
methyl 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propanoate
CID 106941120
ethyl 2-(1-oxaspiro[4.5]decan-8-yl)acetate
CID 69067707
methyl 2-(3,3-dimethylcyclobutyl)acetate
CID 15457661
methyl 2-cyclopentylacetate;hydrochloride
CID 174509285
methyl 2-(1,4-diazepan-5-yl)acetate
CID 23090340
methyl 2-(5,5-dimethylpyrrolidin-3-yl)acetate
CID 131560848

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3R)-1-oxa-9-azaspiro[5.5]undecan-3-yl]acetate?
The IUPAC name of methyl 2-[(3R)-1-oxa-9-azaspiro[5.5]undecan-3-yl]acetate (CID 129359429) is methyl 2-[(3R)-1-oxa-9-azaspiro[5.5]undecan-3-yl]acetate.
What is the SMILES notation for methyl 2-[(3R)-1-oxa-9-azaspiro[5.5]undecan-3-yl]acetate?
The canonical SMILES for methyl 2-[(3R)-1-oxa-9-azaspiro[5.5]undecan-3-yl]acetate is COC(=O)C[C@H]1CCC2(CCNCC2)OC1.
What is the InChIKey of methyl 2-[(3R)-1-oxa-9-azaspiro[5.5]undecan-3-yl]acetate?
The InChIKey is SKDQEKZNBRLGCR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21NO3/c1-15-11(14)8-10-2-3-12(16-9-10)4-6-13-7-5-12/h10,13H,2-9H2,1H3/t10-/m1/s1.
What are the key properties of methyl 2-[(3R)-1-oxa-9-azaspiro[5.5]undecan-3-yl]acetate?
methyl 2-[(3R)-1-oxa-9-azaspiro[5.5]undecan-3-yl]acetate has a molecular weight of 227.30 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3R)-1-oxa-9-azaspiro[5.5]undecan-3-yl]acetate is sourced from PubChem (CID 129359429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).