tert-butyl 3-(aminomethyl)-2-methyl-8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate

C13H25N3O3 — CID 175741447

IUPACtert-butyl 3-(aminomethyl)-2-methyl-8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate
SMILESCN1CC2(COCCN2C(=O)OC(C)(C)C)C1CN
InChIInChI=1S/C13H25N3O3/c1-12(2,3)19-11(17)16-5-6-18-9-13(16)8-15(4)10(13)7-14/h10H,5-9,14H2,1-4H3
InChIKeyRAPPSHDUWYYVEM-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.27
Rot. Bonds1

About tert-butyl 3-(aminomethyl)-2-methyl-8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate

tert-butyl 3-(aminomethyl)-2-methyl-8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate (PubChem CID 175741447) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl 3-(aminomethyl)-2-methyl-8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(aminomethyl)-2-methyl-8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate
PubChem CID175741447
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Nametert-butyl 3-(aminomethyl)-2-methyl-8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate
SMILESCN1CC2(COCCN2C(=O)OC(C)(C)C)C1CN
InChIInChI=1S/C13H25N3O3/c1-12(2,3)19-11(17)16-5-6-18-9-13(16)8-15(4)10(13)7-14/h10H,5-9,14H2,1-4H3
InChIKeyRAPPSHDUWYYVEM-UHFFFAOYSA-N
XLogP0.27
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid
CID 22309142
tert-butyl 3-cyclopropyl-3-formylmorpholine-4-carboxylate
CID 155970645
tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate;hydrochloride
CID 146026801
tert-butyl 3,3-dibenzylmorpholine-4-carboxylate
CID 70061037
tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride
CID 84819306
2-[6-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepan-6-yl]acetic acid
CID 155893559
2-O-benzyl 5-O-tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate
CID 121226000
tert-butyl (6S)-6-hydroxy-6-methyl-1,4-oxazepane-4-carboxylate
CID 125117343
6-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-6-carboxylic acid
CID 155895331
tert-butyl 2-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate
CID 110624369
tert-butyl 6-(aminomethyl)-7-oxa-4-azaspiro[2.5]octane-4-carboxylate;hydrochloride
CID 146049689
tert-butyl 6-(2-hydroxypropan-2-yl)-6-methyl-1,4-oxazepane-4-carboxylate
CID 157175899

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(aminomethyl)-2-methyl-8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate?
The IUPAC name of tert-butyl 3-(aminomethyl)-2-methyl-8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate (CID 175741447) is tert-butyl 3-(aminomethyl)-2-methyl-8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate.
What is the SMILES notation for tert-butyl 3-(aminomethyl)-2-methyl-8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate?
The canonical SMILES for tert-butyl 3-(aminomethyl)-2-methyl-8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate is CN1CC2(COCCN2C(=O)OC(C)(C)C)C1CN.
What is the InChIKey of tert-butyl 3-(aminomethyl)-2-methyl-8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate?
The InChIKey is RAPPSHDUWYYVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-12(2,3)19-11(17)16-5-6-18-9-13(16)8-15(4)10(13)7-14/h10H,5-9,14H2,1-4H3.
What are the key properties of tert-butyl 3-(aminomethyl)-2-methyl-8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate?
tert-butyl 3-(aminomethyl)-2-methyl-8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(aminomethyl)-2-methyl-8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate is sourced from PubChem (CID 175741447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).