tert-butyl N-[(2-oxo-1-azaspiro[3.3]heptan-6-yl)methyl]carbamate

C12H20N2O3 — CID 167930532

IUPACtert-butyl N-[(2-oxo-1-azaspiro[3.3]heptan-6-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CC2(CC(=O)N2)C1
InChIInChI=1S/C12H20N2O3/c1-11(2,3)17-10(16)13-7-8-4-12(5-8)6-9(15)14-12/h8H,4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyIRVLLUMDXNFJAD-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.18
Rot. Bonds2

About tert-butyl N-[(2-oxo-1-azaspiro[3.3]heptan-6-yl)methyl]carbamate

tert-butyl N-[(2-oxo-1-azaspiro[3.3]heptan-6-yl)methyl]carbamate (PubChem CID 167930532) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is tert-butyl N-[(2-oxo-1-azaspiro[3.3]heptan-6-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-oxo-1-azaspiro[3.3]heptan-6-yl)methyl]carbamate
PubChem CID167930532
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Nametert-butyl N-[(2-oxo-1-azaspiro[3.3]heptan-6-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CC2(CC(=O)N2)C1
InChIInChI=1S/C12H20N2O3/c1-11(2,3)17-10(16)13-7-8-4-12(5-8)6-9(15)14-12/h8H,4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyIRVLLUMDXNFJAD-UHFFFAOYSA-N
XLogP1.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-oxo-1-azaspiro[3.3]heptan-6-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(2-oxo-1-azaspiro[3.3]heptan-6-yl)methyl]carbamate (CID 167930532) is tert-butyl N-[(2-oxo-1-azaspiro[3.3]heptan-6-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-oxo-1-azaspiro[3.3]heptan-6-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(2-oxo-1-azaspiro[3.3]heptan-6-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1CC2(CC(=O)N2)C1.
What is the InChIKey of tert-butyl N-[(2-oxo-1-azaspiro[3.3]heptan-6-yl)methyl]carbamate?
The InChIKey is IRVLLUMDXNFJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-11(2,3)17-10(16)13-7-8-4-12(5-8)6-9(15)14-12/h8H,4-7H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of tert-butyl N-[(2-oxo-1-azaspiro[3.3]heptan-6-yl)methyl]carbamate?
tert-butyl N-[(2-oxo-1-azaspiro[3.3]heptan-6-yl)methyl]carbamate has a molecular weight of 240.30 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-oxo-1-azaspiro[3.3]heptan-6-yl)methyl]carbamate is sourced from PubChem (CID 167930532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).