methyl N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]carbamate

C13H26N2O4 — CID 59831576

IUPACmethyl N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]carbamate
SMILESCOC(=O)N(CCN1CCOCC1CO)C(C)(C)C
InChIInChI=1S/C13H26N2O4/c1-13(2,3)15(12(17)18-4)6-5-14-7-8-19-10-11(14)9-16/h11,16H,5-10H2,1-4H3
InChIKeyJFRVKOJRJYRDPS-UHFFFAOYSA-N
MW274.36 g/mol
LogP0.55
Rot. Bonds4

About methyl N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]carbamate

methyl N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]carbamate (PubChem CID 59831576) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is methyl N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]carbamate
PubChem CID59831576
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Namemethyl N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]carbamate
SMILESCOC(=O)N(CCN1CCOCC1CO)C(C)(C)C
InChIInChI=1S/C13H26N2O4/c1-13(2,3)15(12(17)18-4)6-5-14-7-8-19-10-11(14)9-16/h11,16H,5-10H2,1-4H3
InChIKeyJFRVKOJRJYRDPS-UHFFFAOYSA-N
XLogP0.55
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]carbamate?
The IUPAC name of methyl N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]carbamate (CID 59831576) is methyl N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]carbamate.
What is the SMILES notation for methyl N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]carbamate?
The canonical SMILES for methyl N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]carbamate is COC(=O)N(CCN1CCOCC1CO)C(C)(C)C.
What is the InChIKey of methyl N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]carbamate?
The InChIKey is JFRVKOJRJYRDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-13(2,3)15(12(17)18-4)6-5-14-7-8-19-10-11(14)9-16/h11,16H,5-10H2,1-4H3.
What are the key properties of methyl N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]carbamate?
methyl N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]carbamate has a molecular weight of 274.36 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]carbamate is sourced from PubChem (CID 59831576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).