tert-butyl 2-(aminomethyl)-2-(hydroxymethyl)-5-azaspiro[2.5]octane-5-carboxylate

C14H26N2O3 — CID 84712731

IUPACtert-butyl 2-(aminomethyl)-2-(hydroxymethyl)-5-azaspiro[2.5]octane-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(C1)CC2(CN)CO
InChIInChI=1S/C14H26N2O3/c1-12(2,3)19-11(18)16-6-4-5-13(9-16)7-14(13,8-15)10-17/h17H,4-10,15H2,1-3H3
InChIKeyQQLNRJDSZGXKKD-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.34
Rot. Bonds2

About tert-butyl 2-(aminomethyl)-2-(hydroxymethyl)-5-azaspiro[2.5]octane-5-carboxylate

tert-butyl 2-(aminomethyl)-2-(hydroxymethyl)-5-azaspiro[2.5]octane-5-carboxylate (PubChem CID 84712731) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl 2-(aminomethyl)-2-(hydroxymethyl)-5-azaspiro[2.5]octane-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(aminomethyl)-2-(hydroxymethyl)-5-azaspiro[2.5]octane-5-carboxylate
PubChem CID84712731
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl 2-(aminomethyl)-2-(hydroxymethyl)-5-azaspiro[2.5]octane-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(C1)CC2(CN)CO
InChIInChI=1S/C14H26N2O3/c1-12(2,3)19-11(18)16-6-4-5-13(9-16)7-14(13,8-15)10-17/h17H,4-10,15H2,1-3H3
InChIKeyQQLNRJDSZGXKKD-UHFFFAOYSA-N
XLogP1.34
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-(aminomethyl)-2-(hydroxymethyl)-5-azaspiro[2.5]octane-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-(aminomethyl)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 82664676
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 2-amino-2-(hydroxymethyl)-7-azaspiro[2.6]nonane-7-carboxylate
CID 84712733
tert-butyl (3S)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 97172659
(3S)-3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 26601059
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
tert-butyl 4-(aminomethyl)-4-hydroxyazepane-1-carboxylate
CID 56698914
tert-butyl (4R)-3,3-difluoro-4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate
CID 97290046
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid
CID 79422861
1-O-tert-butyl 3-O-ethyl (3R)-3-methylpiperidine-1,3-dicarboxylate
CID 86306952
tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate
CID 96566504

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(aminomethyl)-2-(hydroxymethyl)-5-azaspiro[2.5]octane-5-carboxylate?
The IUPAC name of tert-butyl 2-(aminomethyl)-2-(hydroxymethyl)-5-azaspiro[2.5]octane-5-carboxylate (CID 84712731) is tert-butyl 2-(aminomethyl)-2-(hydroxymethyl)-5-azaspiro[2.5]octane-5-carboxylate.
What is the SMILES notation for tert-butyl 2-(aminomethyl)-2-(hydroxymethyl)-5-azaspiro[2.5]octane-5-carboxylate?
The canonical SMILES for tert-butyl 2-(aminomethyl)-2-(hydroxymethyl)-5-azaspiro[2.5]octane-5-carboxylate is CC(C)(C)OC(=O)N1CCCC2(C1)CC2(CN)CO.
What is the InChIKey of tert-butyl 2-(aminomethyl)-2-(hydroxymethyl)-5-azaspiro[2.5]octane-5-carboxylate?
The InChIKey is QQLNRJDSZGXKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-12(2,3)19-11(18)16-6-4-5-13(9-16)7-14(13,8-15)10-17/h17H,4-10,15H2,1-3H3.
What are the key properties of tert-butyl 2-(aminomethyl)-2-(hydroxymethyl)-5-azaspiro[2.5]octane-5-carboxylate?
tert-butyl 2-(aminomethyl)-2-(hydroxymethyl)-5-azaspiro[2.5]octane-5-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(aminomethyl)-2-(hydroxymethyl)-5-azaspiro[2.5]octane-5-carboxylate is sourced from PubChem (CID 84712731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).