tert-butyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate

C14H25NO3 — CID 71304009

IUPACtert-butyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(CO)C2
InChIInChI=1S/C14H25NO3/c1-13(2,3)18-12(17)15-6-4-14(5-7-15)8-11(9-14)10-16/h11,16H,4-10H2,1-3H3
InChIKeyZKXCMDBKBXJMBK-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.41
Rot. Bonds1

About tert-butyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate

tert-butyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate (PubChem CID 71304009) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate
PubChem CID71304009
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(CO)C2
InChIInChI=1S/C14H25NO3/c1-13(2,3)18-12(17)15-6-4-14(5-7-15)8-11(9-14)10-16/h11,16H,4-10H2,1-3H3
InChIKeyZKXCMDBKBXJMBK-UHFFFAOYSA-N
XLogP2.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of tert-butyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate (CID 71304009) is tert-butyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CC(CO)C2.
What is the InChIKey of tert-butyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate?
The InChIKey is ZKXCMDBKBXJMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-13(2,3)18-12(17)15-6-4-14(5-7-15)8-11(9-14)10-16/h11,16H,4-10H2,1-3H3.
What are the key properties of tert-butyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate?
tert-butyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 71304009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).