tert-butyl N-[[4-(hydroxymethyl)oxolan-2-yl]methyl]carbamate

C11H21NO4 — CID 154879379

IUPACtert-butyl N-[[4-(hydroxymethyl)oxolan-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CC(CO)CO1
InChIInChI=1S/C11H21NO4/c1-11(2,3)16-10(14)12-5-9-4-8(6-13)7-15-9/h8-9,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyWCFHGXORJJFHPK-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.91
Rot. Bonds3

About tert-butyl N-[[4-(hydroxymethyl)oxolan-2-yl]methyl]carbamate

tert-butyl N-[[4-(hydroxymethyl)oxolan-2-yl]methyl]carbamate (PubChem CID 154879379) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is tert-butyl N-[[4-(hydroxymethyl)oxolan-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(hydroxymethyl)oxolan-2-yl]methyl]carbamate
PubChem CID154879379
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nametert-butyl N-[[4-(hydroxymethyl)oxolan-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CC(CO)CO1
InChIInChI=1S/C11H21NO4/c1-11(2,3)16-10(14)12-5-9-4-8(6-13)7-15-9/h8-9,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyWCFHGXORJJFHPK-UHFFFAOYSA-N
XLogP0.91
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(hydroxymethyl)oxolan-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(hydroxymethyl)oxolan-2-yl]methyl]carbamate (CID 154879379) is tert-butyl N-[[4-(hydroxymethyl)oxolan-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(hydroxymethyl)oxolan-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(hydroxymethyl)oxolan-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CC(CO)CO1.
What is the InChIKey of tert-butyl N-[[4-(hydroxymethyl)oxolan-2-yl]methyl]carbamate?
The InChIKey is WCFHGXORJJFHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-11(2,3)16-10(14)12-5-9-4-8(6-13)7-15-9/h8-9,13H,4-7H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-[[4-(hydroxymethyl)oxolan-2-yl]methyl]carbamate?
tert-butyl N-[[4-(hydroxymethyl)oxolan-2-yl]methyl]carbamate has a molecular weight of 231.29 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(hydroxymethyl)oxolan-2-yl]methyl]carbamate is sourced from PubChem (CID 154879379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).