tert-butyl 2-amino-2-(hydroxymethyl)-7-azaspiro[2.6]nonane-7-carboxylate

C14H26N2O3 — CID 84712733

IUPACtert-butyl 2-amino-2-(hydroxymethyl)-7-azaspiro[2.6]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CC1)CC2(N)CO
InChIInChI=1S/C14H26N2O3/c1-12(2,3)19-11(18)16-7-4-5-13(6-8-16)9-14(13,15)10-17/h17H,4-10,15H2,1-3H3
InChIKeyLMNUZWGFNQWXRD-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.49
Rot. Bonds1

About tert-butyl 2-amino-2-(hydroxymethyl)-7-azaspiro[2.6]nonane-7-carboxylate

tert-butyl 2-amino-2-(hydroxymethyl)-7-azaspiro[2.6]nonane-7-carboxylate (PubChem CID 84712733) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl 2-amino-2-(hydroxymethyl)-7-azaspiro[2.6]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-amino-2-(hydroxymethyl)-7-azaspiro[2.6]nonane-7-carboxylate
PubChem CID84712733
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl 2-amino-2-(hydroxymethyl)-7-azaspiro[2.6]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CC1)CC2(N)CO
InChIInChI=1S/C14H26N2O3/c1-12(2,3)19-11(18)16-7-4-5-13(6-8-16)9-14(13,15)10-17/h17H,4-10,15H2,1-3H3
InChIKeyLMNUZWGFNQWXRD-UHFFFAOYSA-N
XLogP1.49
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-4-carboxylic acid
CID 44607608
tert-butyl 2-(aminomethyl)-2-(hydroxymethyl)-5-azaspiro[2.5]octane-5-carboxylate
CID 84712731
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 96892899
tert-butyl 3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 82662965
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
tert-butyl 4-(aminomethyl)-4-hydroxyazepane-1-carboxylate
CID 56698914
tert-butyl 4,4-bis(aminomethyl)piperidine-1-carboxylate
CID 126502774
6-O-tert-butyl 2-O-methyl 2-amino-6-azaspiro[2.5]octane-2,6-dicarboxylate
CID 84715284
tert-butyl 4-amino-4-isocyanoazepane-1-carboxylate
CID 123170075
tert-butyl (3S)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 97172659
tert-butyl 4-(aminomethyl)-4-(hydroxymethyl)piperidine-1-carboxylate;hydrochloride
CID 146082065

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-2-(hydroxymethyl)-7-azaspiro[2.6]nonane-7-carboxylate?
The IUPAC name of tert-butyl 2-amino-2-(hydroxymethyl)-7-azaspiro[2.6]nonane-7-carboxylate (CID 84712733) is tert-butyl 2-amino-2-(hydroxymethyl)-7-azaspiro[2.6]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 2-amino-2-(hydroxymethyl)-7-azaspiro[2.6]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 2-amino-2-(hydroxymethyl)-7-azaspiro[2.6]nonane-7-carboxylate is CC(C)(C)OC(=O)N1CCCC2(CC1)CC2(N)CO.
What is the InChIKey of tert-butyl 2-amino-2-(hydroxymethyl)-7-azaspiro[2.6]nonane-7-carboxylate?
The InChIKey is LMNUZWGFNQWXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-12(2,3)19-11(18)16-7-4-5-13(6-8-16)9-14(13,15)10-17/h17H,4-10,15H2,1-3H3.
What are the key properties of tert-butyl 2-amino-2-(hydroxymethyl)-7-azaspiro[2.6]nonane-7-carboxylate?
tert-butyl 2-amino-2-(hydroxymethyl)-7-azaspiro[2.6]nonane-7-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-2-(hydroxymethyl)-7-azaspiro[2.6]nonane-7-carboxylate is sourced from PubChem (CID 84712733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).