methyl N-tert-butyl-N-(2-hydroxyethyl)carbamate

C8H17NO3 — CID 91205196

IUPACmethyl N-tert-butyl-N-(2-hydroxyethyl)carbamate
SMILESCOC(=O)N(CCO)C(C)(C)C
InChIInChI=1S/C8H17NO3/c1-8(2,3)9(5-6-10)7(11)12-4/h10H,5-6H2,1-4H3
InChIKeyLEZAFDDJWLODPR-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.85
Rot. Bonds2

About methyl N-tert-butyl-N-(2-hydroxyethyl)carbamate

methyl N-tert-butyl-N-(2-hydroxyethyl)carbamate (PubChem CID 91205196) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is methyl N-tert-butyl-N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Namemethyl N-tert-butyl-N-(2-hydroxyethyl)carbamate
PubChem CID91205196
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Namemethyl N-tert-butyl-N-(2-hydroxyethyl)carbamate
SMILESCOC(=O)N(CCO)C(C)(C)C
InChIInChI=1S/C8H17NO3/c1-8(2,3)9(5-6-10)7(11)12-4/h10H,5-6H2,1-4H3
InChIKeyLEZAFDDJWLODPR-UHFFFAOYSA-N
XLogP0.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-tert-butyl-N-(2-hydroxyethyl)carbamate?
The IUPAC name of methyl N-tert-butyl-N-(2-hydroxyethyl)carbamate (CID 91205196) is methyl N-tert-butyl-N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for methyl N-tert-butyl-N-(2-hydroxyethyl)carbamate?
The canonical SMILES for methyl N-tert-butyl-N-(2-hydroxyethyl)carbamate is COC(=O)N(CCO)C(C)(C)C.
What is the InChIKey of methyl N-tert-butyl-N-(2-hydroxyethyl)carbamate?
The InChIKey is LEZAFDDJWLODPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-8(2,3)9(5-6-10)7(11)12-4/h10H,5-6H2,1-4H3.
What are the key properties of methyl N-tert-butyl-N-(2-hydroxyethyl)carbamate?
methyl N-tert-butyl-N-(2-hydroxyethyl)carbamate has a molecular weight of 175.23 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-tert-butyl-N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 91205196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).