methyl 1,6-diazaspiro[3.3]heptane-1-carboxylate

C7H12N2O2 — CID 169312195

IUPACmethyl 1,6-diazaspiro[3.3]heptane-1-carboxylate
SMILESCOC(=O)N1CCC12CNC2
InChIInChI=1S/C7H12N2O2/c1-11-6(10)9-3-2-7(9)4-8-5-7/h8H,2-5H2,1H3
InChIKeyDURRDIZTSYJGGA-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.20
Rot. Bonds

About methyl 1,6-diazaspiro[3.3]heptane-1-carboxylate

methyl 1,6-diazaspiro[3.3]heptane-1-carboxylate (PubChem CID 169312195) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is methyl 1,6-diazaspiro[3.3]heptane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1,6-diazaspiro[3.3]heptane-1-carboxylate
PubChem CID169312195
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Namemethyl 1,6-diazaspiro[3.3]heptane-1-carboxylate
SMILESCOC(=O)N1CCC12CNC2
InChIInChI=1S/C7H12N2O2/c1-11-6(10)9-3-2-7(9)4-8-5-7/h8H,2-5H2,1H3
InChIKeyDURRDIZTSYJGGA-UHFFFAOYSA-N
XLogP-0.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-methyl-1,6-diazaspiro[3.3]heptane-1-carboxylate
CID 118974431
methyl 2,2-dimethylazetidine-1-carboxylate
CID 126990009
methyl 1,1-dimethyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 83848945
methyl 2-tert-butyl-2-methylpiperazine-1-carboxylate
CID 175400977
tert-butyl 1,7-diazaspiro[3.4]octane-1-carboxylate;oxalic acid
CID 118705199
butyl 1,7-diazaspiro[3.4]octane-1-carboxylate
CID 150998309
(4S)-N-methyl-1,8-diazaspiro[3.5]nonane-1-carboxamide
CID 97399273
tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate;hydrochloride
CID 146026801
methyl 1-azaspiro[4.5]dec-7-ene-1-carboxylate
CID 101218053
6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[3.4]octane-7-carboxylic acid
CID 21307005
bis(tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate);oxalic acid
CID 134129817
1-O-tert-butyl 7-O-methyl 6-amino-1-azaspiro[3.4]octane-1,7-dicarboxylate
CID 21307053

Frequently Asked Questions

What is the IUPAC name of methyl 1,6-diazaspiro[3.3]heptane-1-carboxylate?
The IUPAC name of methyl 1,6-diazaspiro[3.3]heptane-1-carboxylate (CID 169312195) is methyl 1,6-diazaspiro[3.3]heptane-1-carboxylate.
What is the SMILES notation for methyl 1,6-diazaspiro[3.3]heptane-1-carboxylate?
The canonical SMILES for methyl 1,6-diazaspiro[3.3]heptane-1-carboxylate is COC(=O)N1CCC12CNC2.
What is the InChIKey of methyl 1,6-diazaspiro[3.3]heptane-1-carboxylate?
The InChIKey is DURRDIZTSYJGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-11-6(10)9-3-2-7(9)4-8-5-7/h8H,2-5H2,1H3.
What are the key properties of methyl 1,6-diazaspiro[3.3]heptane-1-carboxylate?
methyl 1,6-diazaspiro[3.3]heptane-1-carboxylate has a molecular weight of 156.19 g/mol, XLogP of -0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,6-diazaspiro[3.3]heptane-1-carboxylate is sourced from PubChem (CID 169312195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).