[3-methoxy-2-(methylcarbamoyloxy)propyl] formate

C7H13NO5 — CID 143975319

IUPAC[3-methoxy-2-(methylcarbamoyloxy)propyl] formate
SMILESCNC(=O)OC(COC)COC=O
InChIInChI=1S/C7H13NO5/c1-8-7(10)13-6(3-11-2)4-12-5-9/h5-6H,3-4H2,1-2H3,(H,8,10)
InChIKeyCBQADCAKXOEABG-UHFFFAOYSA-N
MW191.18 g/mol
LogP-0.47
Rot. Bonds6

About [3-methoxy-2-(methylcarbamoyloxy)propyl] formate

[3-methoxy-2-(methylcarbamoyloxy)propyl] formate (PubChem CID 143975319) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is [3-methoxy-2-(methylcarbamoyloxy)propyl] formate.

Molecular Properties

Compound Name[3-methoxy-2-(methylcarbamoyloxy)propyl] formate
PubChem CID143975319
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name[3-methoxy-2-(methylcarbamoyloxy)propyl] formate
SMILESCNC(=O)OC(COC)COC=O
InChIInChI=1S/C7H13NO5/c1-8-7(10)13-6(3-11-2)4-12-5-9/h5-6H,3-4H2,1-2H3,(H,8,10)
InChIKeyCBQADCAKXOEABG-UHFFFAOYSA-N
XLogP-0.47
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(1,1,1-trichloro-3-methoxypropan-2-yl) N-methylcarbamate
CID 117059544
tris(2-methoxyethyl N-methylcarbamate);1-methoxypropan-2-yl N-methylcarbamate
CID 157473394
[3-ethoxy-2-(methylcarbamoyloxy)propyl] N-methylcarbamate
CID 59021341
(1-amino-4,4-dimethylpentan-2-yl) N-methylcarbamate
CID 130454785
[(2S)-3-hydroxy-2-(methylcarbamoyloxy)propyl] cyanoformate
CID 155110126
(1-amino-3-cyclohexylpropan-2-yl) N-methylcarbamate
CID 130454840
formaldehyde;[3-[hydroxy-[2-(methoxycarbonylamino)ethoxy]phosphanyl]oxy-2-methoxypropyl] formate
CID 177064211
(2-formyl-3-hydroxypropyl) N-methylcarbamate
CID 91070764
2,3-diformyloxypropyl acetate
CID 14344247
2-[6-(methylamino)hexylcarbamoyloxy]propyl formate
CID 170083157
2-(methylcarbamoyloxy)propyl N-methylcarbamate
CID 129287341
1-hydroxyethyl N-methylcarbamate
CID 21270273

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-2-(methylcarbamoyloxy)propyl] formate?
The IUPAC name of [3-methoxy-2-(methylcarbamoyloxy)propyl] formate (CID 143975319) is [3-methoxy-2-(methylcarbamoyloxy)propyl] formate.
What is the SMILES notation for [3-methoxy-2-(methylcarbamoyloxy)propyl] formate?
The canonical SMILES for [3-methoxy-2-(methylcarbamoyloxy)propyl] formate is CNC(=O)OC(COC)COC=O.
What is the InChIKey of [3-methoxy-2-(methylcarbamoyloxy)propyl] formate?
The InChIKey is CBQADCAKXOEABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO5/c1-8-7(10)13-6(3-11-2)4-12-5-9/h5-6H,3-4H2,1-2H3,(H,8,10).
What are the key properties of [3-methoxy-2-(methylcarbamoyloxy)propyl] formate?
[3-methoxy-2-(methylcarbamoyloxy)propyl] formate has a molecular weight of 191.18 g/mol, XLogP of -0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-2-(methylcarbamoyloxy)propyl] formate is sourced from PubChem (CID 143975319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).