spiro[4.5]decan-8-yl 2-amino-2-methylpropanoate

C14H25NO2 — CID 162724749

IUPACspiro[4.5]decan-8-yl 2-amino-2-methylpropanoate
SMILESCC(C)(N)C(=O)OC1CCC2(CCCC2)CC1
InChIInChI=1S/C14H25NO2/c1-13(2,15)12(16)17-11-5-9-14(10-6-11)7-3-4-8-14/h11H,3-10,15H2,1-2H3
InChIKeyYXJUQBISUYVQNE-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.77
Rot. Bonds2

About spiro[4.5]decan-8-yl 2-amino-2-methylpropanoate

spiro[4.5]decan-8-yl 2-amino-2-methylpropanoate (PubChem CID 162724749) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is spiro[4.5]decan-8-yl 2-amino-2-methylpropanoate.

Molecular Properties

Compound Namespiro[4.5]decan-8-yl 2-amino-2-methylpropanoate
PubChem CID162724749
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namespiro[4.5]decan-8-yl 2-amino-2-methylpropanoate
SMILESCC(C)(N)C(=O)OC1CCC2(CCCC2)CC1
InChIInChI=1S/C14H25NO2/c1-13(2,15)12(16)17-11-5-9-14(10-6-11)7-3-4-8-14/h11H,3-10,15H2,1-2H3
InChIKeyYXJUQBISUYVQNE-UHFFFAOYSA-N
XLogP2.77
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[4.5]decan-8-yl 2-amino-2-methylpropanoate?
The IUPAC name of spiro[4.5]decan-8-yl 2-amino-2-methylpropanoate (CID 162724749) is spiro[4.5]decan-8-yl 2-amino-2-methylpropanoate.
What is the SMILES notation for spiro[4.5]decan-8-yl 2-amino-2-methylpropanoate?
The canonical SMILES for spiro[4.5]decan-8-yl 2-amino-2-methylpropanoate is CC(C)(N)C(=O)OC1CCC2(CCCC2)CC1.
What is the InChIKey of spiro[4.5]decan-8-yl 2-amino-2-methylpropanoate?
The InChIKey is YXJUQBISUYVQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-13(2,15)12(16)17-11-5-9-14(10-6-11)7-3-4-8-14/h11H,3-10,15H2,1-2H3.
What are the key properties of spiro[4.5]decan-8-yl 2-amino-2-methylpropanoate?
spiro[4.5]decan-8-yl 2-amino-2-methylpropanoate has a molecular weight of 239.36 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4.5]decan-8-yl 2-amino-2-methylpropanoate is sourced from PubChem (CID 162724749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).