tert-butyl N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate

C10H21NO4 — CID 22279696

IUPACtert-butyl N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate
SMILESCCC(CO)(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO4/c1-5-10(6-12,7-13)11-8(14)15-9(2,3)4/h12-13H,5-7H2,1-4H3,(H,11,14)
InChIKeyGSOIIRXONPJTAK-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.64
Rot. Bonds4

About tert-butyl N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate

tert-butyl N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate (PubChem CID 22279696) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is tert-butyl N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate
PubChem CID22279696
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Nametert-butyl N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate
SMILESCCC(CO)(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO4/c1-5-10(6-12,7-13)11-8(14)15-9(2,3)4/h12-13H,5-7H2,1-4H3,(H,11,14)
InChIKeyGSOIIRXONPJTAK-UHFFFAOYSA-N
XLogP0.64
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate (CID 22279696) is tert-butyl N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate is CCC(CO)(CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate?
The InChIKey is GSOIIRXONPJTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-5-10(6-12,7-13)11-8(14)15-9(2,3)4/h12-13H,5-7H2,1-4H3,(H,11,14).
What are the key properties of tert-butyl N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate?
tert-butyl N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate has a molecular weight of 219.28 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate is sourced from PubChem (CID 22279696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).