methyl 2-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]acetate

C16H29NO3 — CID 79919511

IUPACmethyl 2-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(C(C)C)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H29NO3/c1-13(2)17(12-15(18)19-3)14-7-10-20-16(11-14)8-5-4-6-9-16/h13-14H,4-12H2,1-3H3
InChIKeyYMTOTYCXKYHXPJ-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.75
Rot. Bonds4

About methyl 2-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]acetate

methyl 2-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]acetate (PubChem CID 79919511) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is methyl 2-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]acetate
PubChem CID79919511
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Namemethyl 2-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(C(C)C)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H29NO3/c1-13(2)17(12-15(18)19-3)14-7-10-20-16(11-14)8-5-4-6-9-16/h13-14H,4-12H2,1-3H3
InChIKeyYMTOTYCXKYHXPJ-UHFFFAOYSA-N
XLogP2.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]acetate?
The IUPAC name of methyl 2-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]acetate (CID 79919511) is methyl 2-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]acetate is COC(=O)CN(C(C)C)C1CCOC2(CCCCC2)C1.
What is the InChIKey of methyl 2-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]acetate?
The InChIKey is YMTOTYCXKYHXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-13(2)17(12-15(18)19-3)14-7-10-20-16(11-14)8-5-4-6-9-16/h13-14H,4-12H2,1-3H3.
What are the key properties of methyl 2-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]acetate?
methyl 2-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]acetate has a molecular weight of 283.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]acetate is sourced from PubChem (CID 79919511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).