tert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-1-methoxypropan-2-yl]-N-methylcarbamate

C15H29NO6 — CID 66622301

IUPACtert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-1-methoxypropan-2-yl]-N-methylcarbamate
SMILESCOC(C1COC(C)(C)O1)C(CO)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO6/c1-14(2,3)22-13(18)16(6)10(8-17)12(19-7)11-9-20-15(4,5)21-11/h10-12,17H,8-9H2,1-7H3
InChIKeyIVUKZFCZTFDTMC-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.38
Rot. Bonds5

About tert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-1-methoxypropan-2-yl]-N-methylcarbamate

tert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-1-methoxypropan-2-yl]-N-methylcarbamate (PubChem CID 66622301) has the molecular formula C15H29NO6 and a molecular weight of 319.40 g/mol. Its IUPAC name is tert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-1-methoxypropan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-1-methoxypropan-2-yl]-N-methylcarbamate
PubChem CID66622301
Molecular FormulaC15H29NO6
Molecular Weight319.40 g/mol
Exact Mass319.20
IUPAC Nametert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-1-methoxypropan-2-yl]-N-methylcarbamate
SMILESCOC(C1COC(C)(C)O1)C(CO)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO6/c1-14(2,3)22-13(18)16(6)10(8-17)12(19-7)11-9-20-15(4,5)21-11/h10-12,17H,8-9H2,1-7H3
InChIKeyIVUKZFCZTFDTMC-UHFFFAOYSA-N
XLogP1.38
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-1-methoxypropan-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-1-methoxypropan-2-yl]-N-methylcarbamate (CID 66622301) is tert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-1-methoxypropan-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-1-methoxypropan-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-1-methoxypropan-2-yl]-N-methylcarbamate is COC(C1COC(C)(C)O1)C(CO)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-1-methoxypropan-2-yl]-N-methylcarbamate?
The InChIKey is IVUKZFCZTFDTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO6/c1-14(2,3)22-13(18)16(6)10(8-17)12(19-7)11-9-20-15(4,5)21-11/h10-12,17H,8-9H2,1-7H3.
What are the key properties of tert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-1-methoxypropan-2-yl]-N-methylcarbamate?
tert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-1-methoxypropan-2-yl]-N-methylcarbamate has a molecular weight of 319.40 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-1-methoxypropan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 66622301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).