2-(methoxymethyl)-2-methyl-3-(methylcarbamoyloxy)propanoic acid

C8H15NO5 — CID 164788962

IUPAC2-(methoxymethyl)-2-methyl-3-(methylcarbamoyloxy)propanoic acid
SMILESCNC(=O)OCC(C)(COC)C(=O)O
InChIInChI=1S/C8H15NO5/c1-8(4-13-3,6(10)11)5-14-7(12)9-2/h4-5H2,1-3H3,(H,9,12)(H,10,11)
InChIKeyUGFGOQOLTIIIQA-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.08
Rot. Bonds5

About 2-(methoxymethyl)-2-methyl-3-(methylcarbamoyloxy)propanoic acid

2-(methoxymethyl)-2-methyl-3-(methylcarbamoyloxy)propanoic acid (PubChem CID 164788962) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-(methoxymethyl)-2-methyl-3-(methylcarbamoyloxy)propanoic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-2-methyl-3-(methylcarbamoyloxy)propanoic acid
PubChem CID164788962
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name2-(methoxymethyl)-2-methyl-3-(methylcarbamoyloxy)propanoic acid
SMILESCNC(=O)OCC(C)(COC)C(=O)O
InChIInChI=1S/C8H15NO5/c1-8(4-13-3,6(10)11)5-14-7(12)9-2/h4-5H2,1-3H3,(H,9,12)(H,10,11)
InChIKeyUGFGOQOLTIIIQA-UHFFFAOYSA-N
XLogP0.08
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Methylaminomethoxy)propanoic acid
CID 20779380
[3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl-(oxomethyl)azanium
CID 21026959
3-(Ethylcarbamoyloxy)-2-methylpropanoic acid
CID 54232030
2-Methyl-3-(methylcarbamoyloxy)-2-(methylcarbamoyloxymethyl)propanoate
CID 57915010
2-Methyl-3-(methylcarbamoyloxy)-2-(methylcarbamoyloxymethyl)propanoic acid
CID 57915011
[3-Oxo-3-[(tritiooxycarbonylamino)methoxy]propyl] 2,2-dimethylbutanoate
CID 58226223
Methyl 3-(methylcarbamoyloxy)propanoate
CID 58766338
3-(Methylcarbamoyloxy)propanoic acid
CID 88635151
2,2-Bis(methylcarbamoyloxymethyl)butanoic acid
CID 89946548
(2-formyl-3-hydroxypropyl) N-methylcarbamate
CID 91070764
2-Methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methoxy]propanoic acid
CID 138478604
tert-butyl N-methylcarbamate;3-hydroxypropanoic acid
CID 145293861

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-2-methyl-3-(methylcarbamoyloxy)propanoic acid?
The IUPAC name of 2-(methoxymethyl)-2-methyl-3-(methylcarbamoyloxy)propanoic acid (CID 164788962) is 2-(methoxymethyl)-2-methyl-3-(methylcarbamoyloxy)propanoic acid.
What is the SMILES notation for 2-(methoxymethyl)-2-methyl-3-(methylcarbamoyloxy)propanoic acid?
The canonical SMILES for 2-(methoxymethyl)-2-methyl-3-(methylcarbamoyloxy)propanoic acid is CNC(=O)OCC(C)(COC)C(=O)O.
What is the InChIKey of 2-(methoxymethyl)-2-methyl-3-(methylcarbamoyloxy)propanoic acid?
The InChIKey is UGFGOQOLTIIIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c1-8(4-13-3,6(10)11)5-14-7(12)9-2/h4-5H2,1-3H3,(H,9,12)(H,10,11).
What are the key properties of 2-(methoxymethyl)-2-methyl-3-(methylcarbamoyloxy)propanoic acid?
2-(methoxymethyl)-2-methyl-3-(methylcarbamoyloxy)propanoic acid has a molecular weight of 205.21 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2-methyl-3-(methylcarbamoyloxy)propanoic acid is sourced from PubChem (CID 164788962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).