methyl 1,4-dioxa-9-azaspiro[5.5]undecane-2-carboxylate;hydrochloride

C10H18ClNO4 — CID 167719622

IUPACmethyl 1,4-dioxa-9-azaspiro[5.5]undecane-2-carboxylate;hydrochloride
SMILESCOC(=O)C1COCC2(CCNCC2)O1.Cl
InChIInChI=1S/C10H17NO4.ClH/c1-13-9(12)8-6-14-7-10(15-8)2-4-11-5-3-10;/h8,11H,2-7H2,1H3;1H
InChIKeyOPKNIAWXOJGYHP-UHFFFAOYSA-N
MW251.71 g/mol
LogP0.12
Rot. Bonds1

About methyl 1,4-dioxa-9-azaspiro[5.5]undecane-2-carboxylate;hydrochloride

methyl 1,4-dioxa-9-azaspiro[5.5]undecane-2-carboxylate;hydrochloride (PubChem CID 167719622) has the molecular formula C10H18ClNO4 and a molecular weight of 251.71 g/mol. Its IUPAC name is methyl 1,4-dioxa-9-azaspiro[5.5]undecane-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1,4-dioxa-9-azaspiro[5.5]undecane-2-carboxylate;hydrochloride
PubChem CID167719622
Molecular FormulaC10H18ClNO4
Molecular Weight251.71 g/mol
Exact Mass251.09
IUPAC Namemethyl 1,4-dioxa-9-azaspiro[5.5]undecane-2-carboxylate;hydrochloride
SMILESCOC(=O)C1COCC2(CCNCC2)O1.Cl
InChIInChI=1S/C10H17NO4.ClH/c1-13-9(12)8-6-14-7-10(15-8)2-4-11-5-3-10;/h8,11H,2-7H2,1H3;1H
InChIKeyOPKNIAWXOJGYHP-UHFFFAOYSA-N
XLogP0.12
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1,4-dioxa-9-azaspiro[5.5]undecane-2-carboxylate;hydrochloride with MolForge

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Related Compounds

methyl (2R)-1-oxa-8-azaspiro[4.5]decane-2-carboxylate
CID 97295038
methyl 2-ethyl-2-methyl-1,3-dioxolane-4-carboxylate
CID 175220005
methyl 2,2-dimethyl-(4,5-13C2)1,3-dioxolane-4-carboxylate
CID 169439042
methyl 2,9-dioxa-6-azaspiro[4.5]decane-7-carboxylate
CID 105453383
methyl 3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylate;hydrochloride
CID 118235868
tert-butyl N-[(4R)-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate
CID 155904737
N,N-diethyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;hydrochloride
CID 118741573
methyl 2-[(3R)-1-oxa-9-azaspiro[5.5]undecan-3-yl]acetate
CID 129359429
methyl piperidine-4-carboxylate;hydrochloride
CID 18783829
methyl (3S)-4,9,12-trioxadispiro[4.2.48.25]tetradecane-3-carboxylate
CID 171991435
methyl (7R)-6-oxa-2-azaspiro[3.4]octane-7-carboxylate
CID 129322205
methyl 4-methyl-1,6-dioxaspiro[2.4]heptane-2-carboxylate
CID 165448019

Frequently Asked Questions

What is the IUPAC name of methyl 1,4-dioxa-9-azaspiro[5.5]undecane-2-carboxylate;hydrochloride?
The IUPAC name of methyl 1,4-dioxa-9-azaspiro[5.5]undecane-2-carboxylate;hydrochloride (CID 167719622) is methyl 1,4-dioxa-9-azaspiro[5.5]undecane-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1,4-dioxa-9-azaspiro[5.5]undecane-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 1,4-dioxa-9-azaspiro[5.5]undecane-2-carboxylate;hydrochloride is COC(=O)C1COCC2(CCNCC2)O1.Cl.
What is the InChIKey of methyl 1,4-dioxa-9-azaspiro[5.5]undecane-2-carboxylate;hydrochloride?
The InChIKey is OPKNIAWXOJGYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4.ClH/c1-13-9(12)8-6-14-7-10(15-8)2-4-11-5-3-10;/h8,11H,2-7H2,1H3;1H.
What are the key properties of methyl 1,4-dioxa-9-azaspiro[5.5]undecane-2-carboxylate;hydrochloride?
methyl 1,4-dioxa-9-azaspiro[5.5]undecane-2-carboxylate;hydrochloride has a molecular weight of 251.71 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,4-dioxa-9-azaspiro[5.5]undecane-2-carboxylate;hydrochloride is sourced from PubChem (CID 167719622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).