ethyl 2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)acetate

C14H25N3O3 — CID 56748250

IUPACethyl 2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)acetate
SMILESCCOC(=O)CN1CCC2(CC1)C(=O)NCCCN2C
InChIInChI=1S/C14H25N3O3/c1-3-20-12(18)11-17-9-5-14(6-10-17)13(19)15-7-4-8-16(14)2/h3-11H2,1-2H3,(H,15,19)
InChIKeyKQZVMMPTYSRDFO-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.16
Rot. Bonds3

About ethyl 2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)acetate

ethyl 2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)acetate (PubChem CID 56748250) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)acetate
PubChem CID56748250
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nameethyl 2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)acetate
SMILESCCOC(=O)CN1CCC2(CC1)C(=O)NCCCN2C
InChIInChI=1S/C14H25N3O3/c1-3-20-12(18)11-17-9-5-14(6-10-17)13(19)15-7-4-8-16(14)2/h3-11H2,1-2H3,(H,15,19)
InChIKeyKQZVMMPTYSRDFO-UHFFFAOYSA-N
XLogP-0.16
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)acetate?
The IUPAC name of ethyl 2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)acetate (CID 56748250) is ethyl 2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)acetate.
What is the SMILES notation for ethyl 2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)acetate?
The canonical SMILES for ethyl 2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)acetate is CCOC(=O)CN1CCC2(CC1)C(=O)NCCCN2C.
What is the InChIKey of ethyl 2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)acetate?
The InChIKey is KQZVMMPTYSRDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-3-20-12(18)11-17-9-5-14(6-10-17)13(19)15-7-4-8-16(14)2/h3-11H2,1-2H3,(H,15,19).
What are the key properties of ethyl 2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)acetate?
ethyl 2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)acetate has a molecular weight of 283.37 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)acetate is sourced from PubChem (CID 56748250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).