tert-butyl 3-(2-methoxy-2-oxoethyl)-4-oxo-1-propyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate

C18H31N3O5 — CID 10832893

IUPACtert-butyl 3-(2-methoxy-2-oxoethyl)-4-oxo-1-propyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate
SMILESCCCN1CN(CC(=O)OC)C(=O)C12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C18H31N3O5/c1-6-9-21-13-20(12-14(22)25-5)15(23)18(21)7-10-19(11-8-18)16(24)26-17(2,3)4/h6-13H2,1-5H3
InChIKeyIKYUAWNPNGQGIC-UHFFFAOYSA-N
MW369.46 g/mol
LogP1.44
Rot. Bonds4

About tert-butyl 3-(2-methoxy-2-oxoethyl)-4-oxo-1-propyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate

tert-butyl 3-(2-methoxy-2-oxoethyl)-4-oxo-1-propyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate (PubChem CID 10832893) has the molecular formula C18H31N3O5 and a molecular weight of 369.46 g/mol. Its IUPAC name is tert-butyl 3-(2-methoxy-2-oxoethyl)-4-oxo-1-propyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-methoxy-2-oxoethyl)-4-oxo-1-propyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate
PubChem CID10832893
Molecular FormulaC18H31N3O5
Molecular Weight369.46 g/mol
Exact Mass369.23
IUPAC Nametert-butyl 3-(2-methoxy-2-oxoethyl)-4-oxo-1-propyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate
SMILESCCCN1CN(CC(=O)OC)C(=O)C12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C18H31N3O5/c1-6-9-21-13-20(12-14(22)25-5)15(23)18(21)7-10-19(11-8-18)16(24)26-17(2,3)4/h6-13H2,1-5H3
InChIKeyIKYUAWNPNGQGIC-UHFFFAOYSA-N
XLogP1.44
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-methoxy-2-oxoethyl)-4-oxo-1-propyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 3-(2-methoxy-2-oxoethyl)-4-oxo-1-propyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate (CID 10832893) is tert-butyl 3-(2-methoxy-2-oxoethyl)-4-oxo-1-propyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-methoxy-2-oxoethyl)-4-oxo-1-propyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 3-(2-methoxy-2-oxoethyl)-4-oxo-1-propyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate is CCCN1CN(CC(=O)OC)C(=O)C12CCN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 3-(2-methoxy-2-oxoethyl)-4-oxo-1-propyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate?
The InChIKey is IKYUAWNPNGQGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O5/c1-6-9-21-13-20(12-14(22)25-5)15(23)18(21)7-10-19(11-8-18)16(24)26-17(2,3)4/h6-13H2,1-5H3.
What are the key properties of tert-butyl 3-(2-methoxy-2-oxoethyl)-4-oxo-1-propyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate?
tert-butyl 3-(2-methoxy-2-oxoethyl)-4-oxo-1-propyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate has a molecular weight of 369.46 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-methoxy-2-oxoethyl)-4-oxo-1-propyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 10832893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).