methyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate

C7H11NO6 — CID 58012597

IUPACmethyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate
SMILESCOC(=O)NC1(CO)COC(=O)OC1
InChIInChI=1S/C7H11NO6/c1-12-5(10)8-7(2-9)3-13-6(11)14-4-7/h9H,2-4H2,1H3,(H,8,10)
InChIKeyMTRMMVVLXJKGEG-UHFFFAOYSA-N
MW205.17 g/mol
LogP-0.76
Rot. Bonds2

About methyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate

methyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate (PubChem CID 58012597) has the molecular formula C7H11NO6 and a molecular weight of 205.17 g/mol. Its IUPAC name is methyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate
PubChem CID58012597
Molecular FormulaC7H11NO6
Molecular Weight205.17 g/mol
Exact Mass205.06
IUPAC Namemethyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate
SMILESCOC(=O)NC1(CO)COC(=O)OC1
InChIInChI=1S/C7H11NO6/c1-12-5(10)8-7(2-9)3-13-6(11)14-4-7/h9H,2-4H2,1H3,(H,8,10)
InChIKeyMTRMMVVLXJKGEG-UHFFFAOYSA-N
XLogP-0.76
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Tert-butyl [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate
CID 45497366
ethyl N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamate
CID 108481285
(1,3-Dihydroxy-2-methylpropan-2-yl)carbamic acid
CID 54518237
tert-butyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate
CID 59641426
[5-(Hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamic acid
CID 70977002
ethyl N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamate
CID 81965403
methyl N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamate
CID 108481213
(1-Hydroxy-3-methoxy-2-methylpropan-2-yl)carbamic acid
CID 122604231
(2,2,5-Trimethyl-1,3-dioxan-5-yl)carbamic acid
CID 139557105
[1-Hydroxy-3-(methoxymethoxy)-2-methylpropan-2-yl]carbamic acid
CID 152749159
[2-(Ethoxycarbonylamino)-3-hydroxy-2-methylpropyl] ethyl carbonate
CID 179049494
[3-Hydroxy-2-(methoxycarbonylamino)-2-methylpropyl] methyl carbonate
CID 179049517

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate?
The IUPAC name of methyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate (CID 58012597) is methyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate.
What is the SMILES notation for methyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate?
The canonical SMILES for methyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate is COC(=O)NC1(CO)COC(=O)OC1.
What is the InChIKey of methyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate?
The InChIKey is MTRMMVVLXJKGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO6/c1-12-5(10)8-7(2-9)3-13-6(11)14-4-7/h9H,2-4H2,1H3,(H,8,10).
What are the key properties of methyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate?
methyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate has a molecular weight of 205.17 g/mol, XLogP of -0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate is sourced from PubChem (CID 58012597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).