tert-butyl N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate

C12H23NO5 — CID 45497366

IUPACtert-butyl N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CO)COC(C)(C)OC1
InChIInChI=1S/C12H23NO5/c1-10(2,3)18-9(15)13-12(6-14)7-16-11(4,5)17-8-12/h14H,6-8H2,1-5H3,(H,13,15)
InChIKeyUIDPKGWXTKYSPZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.03
Rot. Bonds2

About tert-butyl N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate

tert-butyl N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate (PubChem CID 45497366) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is tert-butyl N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate
PubChem CID45497366
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Nametert-butyl N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CO)COC(C)(C)OC1
InChIInChI=1S/C12H23NO5/c1-10(2,3)18-9(15)13-12(6-14)7-16-11(4,5)17-8-12/h14H,6-8H2,1-5H3,(H,13,15)
InChIKeyUIDPKGWXTKYSPZ-UHFFFAOYSA-N
XLogP1.03
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamate
CID 11593669
tert-butyl N-(3-(hydroxymethyl)oxetan-3-yl)carbamate
CID 17915673
tert-Butyl (1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)carbamate
CID 545378
1,1-Dimethylethyl N-(5-ethynyl-2,2-dimethyl-1,3-dioxan-5-yl)carbamate
CID 11514385
[(2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate
CID 102469835
tert-butyl N-[1-hydroxy-2-(methoxymethoxymethyl)butan-2-yl]carbamate
CID 57704559
tert-butyl N-[1-hydroxy-3-(methoxymethoxy)-2-methylpropan-2-yl]carbamate
CID 57704593
methyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate
CID 58012597
tert-butyl N-(5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)carbamate
CID 58219463
5-{[(Tert-butoxy)carbonyl]amino}-2,2-dimethyl-1,3-dioxane-5-carboxylic acid
CID 58906675
tert-butyl N-[1-(3-hydroxypropoxy)-2-methylpropan-2-yl]carbamate
CID 59614772
tert-butyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate
CID 59641426

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate (CID 45497366) is tert-butyl N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate is CC(C)(C)OC(=O)NC1(CO)COC(C)(C)OC1.
What is the InChIKey of tert-butyl N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate?
The InChIKey is UIDPKGWXTKYSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-10(2,3)18-9(15)13-12(6-14)7-16-11(4,5)17-8-12/h14H,6-8H2,1-5H3,(H,13,15).
What are the key properties of tert-butyl N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate?
tert-butyl N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate has a molecular weight of 261.32 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate is sourced from PubChem (CID 45497366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).