tert-butyl (3S)-3-(hydroxymethyl)-2-azaspiro[4.5]decane-2-carboxylate

C15H27NO3 — CID 163321507

IUPACtert-butyl (3S)-3-(hydroxymethyl)-2-azaspiro[4.5]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCCCC2)C[C@H]1CO
InChIInChI=1S/C15H27NO3/c1-14(2,3)19-13(18)16-11-15(9-12(16)10-17)7-5-4-6-8-15/h12,17H,4-11H2,1-3H3/t12-/m0/s1
InChIKeyKGYVYPKSRDCPCV-LBPRGKRZSA-N
MW269.38 g/mol
LogP2.94
Rot. Bonds1

About tert-butyl (3S)-3-(hydroxymethyl)-2-azaspiro[4.5]decane-2-carboxylate

tert-butyl (3S)-3-(hydroxymethyl)-2-azaspiro[4.5]decane-2-carboxylate (PubChem CID 163321507) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl (3S)-3-(hydroxymethyl)-2-azaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-(hydroxymethyl)-2-azaspiro[4.5]decane-2-carboxylate
PubChem CID163321507
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl (3S)-3-(hydroxymethyl)-2-azaspiro[4.5]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCCCC2)C[C@H]1CO
InChIInChI=1S/C15H27NO3/c1-14(2,3)19-13(18)16-11-15(9-12(16)10-17)7-5-4-6-8-15/h12,17H,4-11H2,1-3H3/t12-/m0/s1
InChIKeyKGYVYPKSRDCPCV-LBPRGKRZSA-N
XLogP2.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-(hydroxymethyl)-2-azaspiro[4.5]decane-2-carboxylate?
The IUPAC name of tert-butyl (3S)-3-(hydroxymethyl)-2-azaspiro[4.5]decane-2-carboxylate (CID 163321507) is tert-butyl (3S)-3-(hydroxymethyl)-2-azaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-(hydroxymethyl)-2-azaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-(hydroxymethyl)-2-azaspiro[4.5]decane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CCCCC2)C[C@H]1CO.
What is the InChIKey of tert-butyl (3S)-3-(hydroxymethyl)-2-azaspiro[4.5]decane-2-carboxylate?
The InChIKey is KGYVYPKSRDCPCV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H27NO3/c1-14(2,3)19-13(18)16-11-15(9-12(16)10-17)7-5-4-6-8-15/h12,17H,4-11H2,1-3H3/t12-/m0/s1.
What are the key properties of tert-butyl (3S)-3-(hydroxymethyl)-2-azaspiro[4.5]decane-2-carboxylate?
tert-butyl (3S)-3-(hydroxymethyl)-2-azaspiro[4.5]decane-2-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-(hydroxymethyl)-2-azaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 163321507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).