tert-butyl N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamate

C9H19NO4 — CID 11593669

IUPACtert-butyl N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamate
SMILESCC(CO)(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO4/c1-8(2,3)14-7(13)10-9(4,5-11)6-12/h11-12H,5-6H2,1-4H3,(H,10,13)
InChIKeyZBZMCDFHJKDEBS-UHFFFAOYSA-N
MW205.25 g/mol
LogP0.25
Rot. Bonds3

About tert-butyl N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamate

tert-butyl N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamate (PubChem CID 11593669) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is tert-butyl N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamate
PubChem CID11593669
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Nametert-butyl N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamate
SMILESCC(CO)(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO4/c1-8(2,3)14-7(13)10-9(4,5-11)6-12/h11-12H,5-6H2,1-4H3,(H,10,13)
InChIKeyZBZMCDFHJKDEBS-UHFFFAOYSA-N
XLogP0.25
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamate (CID 11593669) is tert-butyl N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamate is CC(CO)(CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamate?
The InChIKey is ZBZMCDFHJKDEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-8(2,3)14-7(13)10-9(4,5-11)6-12/h11-12H,5-6H2,1-4H3,(H,10,13).
What are the key properties of tert-butyl N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamate?
tert-butyl N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamate has a molecular weight of 205.25 g/mol, XLogP of 0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamate is sourced from PubChem (CID 11593669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).