propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate

C10H19NO4 — CID 116657841

IUPACpropan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
SMILESCOC1(CNC(=O)OC(C)C)CCOC1
InChIInChI=1S/C10H19NO4/c1-8(2)15-9(12)11-6-10(13-3)4-5-14-7-10/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyXIRQPMCBPMHEEE-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.93
Rot. Bonds4

About propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate

propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate (PubChem CID 116657841) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
PubChem CID116657841
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namepropan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
SMILESCOC1(CNC(=O)OC(C)C)CCOC1
InChIInChI=1S/C10H19NO4/c1-8(2)15-9(12)11-6-10(13-3)4-5-14-7-10/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyXIRQPMCBPMHEEE-UHFFFAOYSA-N
XLogP0.93
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate
CID 18471710
2,2,2-trifluoroethyl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
CID 104705271
[3-(propylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate
CID 21134550
5-[2-[2-(2-Butoxyethoxy)ethoxy]ethoxymethyl]-1,3-oxazolidin-2-one
CID 53938129
2-[(5S)-2-oxo-1,3-oxazolidin-5-yl]propan-2-yl 4-aminobutanoate
CID 57558060
tert-butyl N-[[(4R)-5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate
CID 57665670
tert-butyl N-[[(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate
CID 58158394
[(3S)-oxolan-3-yl] N-(2-propan-2-yloxyethyl)carbamate
CID 59111297
[(3R)-oxolan-3-yl] N-(2-propan-2-yloxyethyl)carbamate
CID 59111301
[3-(butylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate
CID 59155383
1,7-Dioxa-3-azaspiro[4.4]nonan-2-one
CID 65585357
tert-butyl N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate
CID 69993754

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate?
The IUPAC name of propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate (CID 116657841) is propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate?
The canonical SMILES for propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate is COC1(CNC(=O)OC(C)C)CCOC1.
What is the InChIKey of propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate?
The InChIKey is XIRQPMCBPMHEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-8(2)15-9(12)11-6-10(13-3)4-5-14-7-10/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate?
propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate has a molecular weight of 217.26 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate is sourced from PubChem (CID 116657841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).