methyl 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)propanoate

C13H23NO4 — CID 79894913

IUPACmethyl 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)propanoate
SMILESCOC(=O)CCNC1CCOC2(CCOCC2)C1
InChIInChI=1S/C13H23NO4/c1-16-12(15)2-6-14-11-3-7-18-13(10-11)4-8-17-9-5-13/h11,14H,2-10H2,1H3
InChIKeyGZMYXEFBBRSYRB-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.87
Rot. Bonds4

About methyl 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)propanoate

methyl 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)propanoate (PubChem CID 79894913) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)propanoate
PubChem CID79894913
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Namemethyl 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)propanoate
SMILESCOC(=O)CCNC1CCOC2(CCOCC2)C1
InChIInChI=1S/C13H23NO4/c1-16-12(15)2-6-14-11-3-7-18-13(10-11)4-8-17-9-5-13/h11,14H,2-10H2,1H3
InChIKeyGZMYXEFBBRSYRB-UHFFFAOYSA-N
XLogP0.87
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanamide
CID 106237589
N-[2-(2-methoxyethoxy)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79895389
N-(4-methoxybutyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79894953
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-methylacetamide
CID 79897971
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethylethane-1,2-diamine
CID 79898387
methyl 3-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]propanoate
CID 79919754
N-(3-methoxypropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898117
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79901356
ethyl 4-(1-oxaspiro[5.5]undecan-4-ylamino)butanoate
CID 79904131
ethyl 2-(6-oxaspiro[4.5]decan-9-ylamino)acetate
CID 79895269
N-cyclopropyl-4-(2,6-dioxaspiro[4.5]decan-9-ylamino)butanamide
CID 79903932
methyl 3-(piperidin-4-ylamino)propanoate
CID 54537076

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)propanoate?
The IUPAC name of methyl 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)propanoate (CID 79894913) is methyl 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)propanoate.
What is the SMILES notation for methyl 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)propanoate?
The canonical SMILES for methyl 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)propanoate is COC(=O)CCNC1CCOC2(CCOCC2)C1.
What is the InChIKey of methyl 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)propanoate?
The InChIKey is GZMYXEFBBRSYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-16-12(15)2-6-14-11-3-7-18-13(10-11)4-8-17-9-5-13/h11,14H,2-10H2,1H3.
What are the key properties of methyl 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)propanoate?
methyl 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)propanoate has a molecular weight of 257.33 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)propanoate is sourced from PubChem (CID 79894913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).