methyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate

C11H19NO4 — CID 79905755

IUPACmethyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate
SMILESCOC(=O)C(N)C1CCOC2(CCOC2)C1
InChIInChI=1S/C11H19NO4/c1-14-10(13)9(12)8-2-4-16-11(6-8)3-5-15-7-11/h8-9H,2-7,12H2,1H3
InChIKeyKGADWHPGZXONAJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.07
Rot. Bonds2

About methyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate

methyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate (PubChem CID 79905755) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate
PubChem CID79905755
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate
SMILESCOC(=O)C(N)C1CCOC2(CCOC2)C1
InChIInChI=1S/C11H19NO4/c1-14-10(13)9(12)8-2-4-16-11(6-8)3-5-15-7-11/h8-9H,2-7,12H2,1H3
InChIKeyKGADWHPGZXONAJ-UHFFFAOYSA-N
XLogP0.07
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate with MolForge

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Related Compounds

dimethyl 2-(1,9-dioxaspiro[5.5]undecan-4-yl)propanedioate
CID 103972495
(2R)-2-amino-2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid
CID 106702805
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 79914987
2,6-dioxaspiro[4.5]decan-9-yl-(4-methoxyoxan-4-yl)methanamine
CID 116764369
methyl 2-hydroxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)acetate
CID 79913062
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethoxyethyl]hydrazine
CID 105246210
2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine
CID 79914092
methyl 2-hydroxy-2-(1-oxaspiro[5.5]undecan-4-yl)acetate
CID 79912845
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2-methoxyethoxy)propan-1-amine
CID 102927776
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxy-2-methylpropan-1-ol
CID 79921673
2-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-one
CID 116548972
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutyl]hydrazine
CID 105199138

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate?
The IUPAC name of methyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate (CID 79905755) is methyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate.
What is the SMILES notation for methyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate?
The canonical SMILES for methyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate is COC(=O)C(N)C1CCOC2(CCOC2)C1.
What is the InChIKey of methyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate?
The InChIKey is KGADWHPGZXONAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-14-10(13)9(12)8-2-4-16-11(6-8)3-5-15-7-11/h8-9H,2-7,12H2,1H3.
What are the key properties of methyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate?
methyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate has a molecular weight of 229.28 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate is sourced from PubChem (CID 79905755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).