tert-butyl N-(2-hydroxypropyl)-N-methylcarbamate

C9H19NO3 — CID 19369009

IUPACtert-butyl N-(2-hydroxypropyl)-N-methylcarbamate
SMILESCC(O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-7(11)6-10(5)8(12)13-9(2,3)4/h7,11H,6H2,1-5H3
InChIKeyROQKPIPQWREQCV-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.23
Rot. Bonds2

About tert-butyl N-(2-hydroxypropyl)-N-methylcarbamate

tert-butyl N-(2-hydroxypropyl)-N-methylcarbamate (PubChem CID 19369009) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxypropyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxypropyl)-N-methylcarbamate
PubChem CID19369009
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nametert-butyl N-(2-hydroxypropyl)-N-methylcarbamate
SMILESCC(O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-7(11)6-10(5)8(12)13-9(2,3)4/h7,11H,6H2,1-5H3
InChIKeyROQKPIPQWREQCV-UHFFFAOYSA-N
XLogP1.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxypropyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(2-hydroxypropyl)-N-methylcarbamate (CID 19369009) is tert-butyl N-(2-hydroxypropyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxypropyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(2-hydroxypropyl)-N-methylcarbamate is CC(O)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-hydroxypropyl)-N-methylcarbamate?
The InChIKey is ROQKPIPQWREQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-7(11)6-10(5)8(12)13-9(2,3)4/h7,11H,6H2,1-5H3.
What are the key properties of tert-butyl N-(2-hydroxypropyl)-N-methylcarbamate?
tert-butyl N-(2-hydroxypropyl)-N-methylcarbamate has a molecular weight of 189.25 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxypropyl)-N-methylcarbamate is sourced from PubChem (CID 19369009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).