methyl 3-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]propanoate

C15H27NO4 — CID 79919754

IUPACmethyl 3-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]propanoate
SMILESCCN(CCC(=O)OC)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H27NO4/c1-3-16(8-4-14(17)18-2)13-5-9-20-15(12-13)6-10-19-11-7-15/h13H,3-12H2,1-2H3
InChIKeyWYBPDTLGGHZOLB-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.60
Rot. Bonds5

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

methyl 3-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]propanoate (PubChem CID 79919754) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is methyl 3-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]propanoate
PubChem CID79919754
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Namemethyl 3-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]propanoate
SMILESCCN(CCC(=O)OC)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H27NO4/c1-3-16(8-4-14(17)18-2)13-5-9-20-15(12-13)6-10-19-11-7-15/h13H,3-12H2,1-2H3
InChIKeyWYBPDTLGGHZOLB-UHFFFAOYSA-N
XLogP1.60
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[ethyl(oxan-4-yl)amino]propanoate
CID 63937112
2-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]acetic acid
CID 79894049
methyl 3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoate
CID 79919397
methyl 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)propanoate
CID 79894913
2-[butyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 79919295
ethyl 2-[cyclopropyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]acetate
CID 79909780
N'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
CID 79898283
methyl 2-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetate
CID 79920105
ethyl 2-[ethyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]acetate
CID 79920431
2-[ethyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]ethanol
CID 79919525
3-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methylpropyl)amino]propanimidamide
CID 79902458
2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]ethanol
CID 113468045

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]propanoate?
The IUPAC name of methyl 3-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]propanoate (CID 79919754) is methyl 3-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]propanoate?
The canonical SMILES for methyl 3-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]propanoate is CCN(CCC(=O)OC)C1CCOC2(CCOCC2)C1.
What is the InChIKey of methyl 3-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]propanoate?
The InChIKey is WYBPDTLGGHZOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-3-16(8-4-14(17)18-2)13-5-9-20-15(12-13)6-10-19-11-7-15/h13H,3-12H2,1-2H3.
What are the key properties of methyl 3-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]propanoate?
methyl 3-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]propanoate has a molecular weight of 285.38 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 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-yl(ethyl)amino]propanoate is sourced from PubChem (CID 79919754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).