tert-butyl 2-methyl-5-morpholin-4-yl-4-oxopentanoate

C14H25NO4 — CID 121437739

IUPACtert-butyl 2-methyl-5-morpholin-4-yl-4-oxopentanoate
SMILESCC(CC(=O)CN1CCOCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO4/c1-11(13(17)19-14(2,3)4)9-12(16)10-15-5-7-18-8-6-15/h11H,5-10H2,1-4H3
InChIKeyQYVVOXCUSDTGSW-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.26
Rot. Bonds5

About tert-butyl 2-methyl-5-morpholin-4-yl-4-oxopentanoate

tert-butyl 2-methyl-5-morpholin-4-yl-4-oxopentanoate (PubChem CID 121437739) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl 2-methyl-5-morpholin-4-yl-4-oxopentanoate.

Molecular Properties

Compound Nametert-butyl 2-methyl-5-morpholin-4-yl-4-oxopentanoate
PubChem CID121437739
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl 2-methyl-5-morpholin-4-yl-4-oxopentanoate
SMILESCC(CC(=O)CN1CCOCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO4/c1-11(13(17)19-14(2,3)4)9-12(16)10-15-5-7-18-8-6-15/h11H,5-10H2,1-4H3
InChIKeyQYVVOXCUSDTGSW-UHFFFAOYSA-N
XLogP1.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-5-morpholin-4-yl-4-oxopentanoate?
The IUPAC name of tert-butyl 2-methyl-5-morpholin-4-yl-4-oxopentanoate (CID 121437739) is tert-butyl 2-methyl-5-morpholin-4-yl-4-oxopentanoate.
What is the SMILES notation for tert-butyl 2-methyl-5-morpholin-4-yl-4-oxopentanoate?
The canonical SMILES for tert-butyl 2-methyl-5-morpholin-4-yl-4-oxopentanoate is CC(CC(=O)CN1CCOCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methyl-5-morpholin-4-yl-4-oxopentanoate?
The InChIKey is QYVVOXCUSDTGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-11(13(17)19-14(2,3)4)9-12(16)10-15-5-7-18-8-6-15/h11H,5-10H2,1-4H3.
What are the key properties of tert-butyl 2-methyl-5-morpholin-4-yl-4-oxopentanoate?
tert-butyl 2-methyl-5-morpholin-4-yl-4-oxopentanoate has a molecular weight of 271.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-5-morpholin-4-yl-4-oxopentanoate is sourced from PubChem (CID 121437739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).