tert-butyl N-[2-hydroxy-3-(methylamino)propyl]-N-methylcarbamate

C10H22N2O3 — CID 84683868

IUPACtert-butyl N-[2-hydroxy-3-(methylamino)propyl]-N-methylcarbamate
SMILESCNCC(O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O3/c1-10(2,3)15-9(14)12(5)7-8(13)6-11-4/h8,11,13H,6-7H2,1-5H3
InChIKeyCHNKIQHZJLEFSM-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.43
Rot. Bonds4

About tert-butyl N-[2-hydroxy-3-(methylamino)propyl]-N-methylcarbamate

tert-butyl N-[2-hydroxy-3-(methylamino)propyl]-N-methylcarbamate (PubChem CID 84683868) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is tert-butyl N-[2-hydroxy-3-(methylamino)propyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-hydroxy-3-(methylamino)propyl]-N-methylcarbamate
PubChem CID84683868
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Nametert-butyl N-[2-hydroxy-3-(methylamino)propyl]-N-methylcarbamate
SMILESCNCC(O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O3/c1-10(2,3)15-9(14)12(5)7-8(13)6-11-4/h8,11,13H,6-7H2,1-5H3
InChIKeyCHNKIQHZJLEFSM-UHFFFAOYSA-N
XLogP0.43
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-hydroxy-3-(methylamino)propyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-hydroxy-3-(methylamino)propyl]-N-methylcarbamate (CID 84683868) is tert-butyl N-[2-hydroxy-3-(methylamino)propyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-hydroxy-3-(methylamino)propyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-hydroxy-3-(methylamino)propyl]-N-methylcarbamate is CNCC(O)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-hydroxy-3-(methylamino)propyl]-N-methylcarbamate?
The InChIKey is CHNKIQHZJLEFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-10(2,3)15-9(14)12(5)7-8(13)6-11-4/h8,11,13H,6-7H2,1-5H3.
What are the key properties of tert-butyl N-[2-hydroxy-3-(methylamino)propyl]-N-methylcarbamate?
tert-butyl N-[2-hydroxy-3-(methylamino)propyl]-N-methylcarbamate has a molecular weight of 218.30 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-hydroxy-3-(methylamino)propyl]-N-methylcarbamate is sourced from PubChem (CID 84683868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).