2-(methylcarbamoyloxymethyl)azetidine-1-carboxylic acid

C7H12N2O4 — CID 126643654

IUPAC2-(methylcarbamoyloxymethyl)azetidine-1-carboxylic acid
SMILESCNC(=O)OCC1CCN1C(=O)O
InChIInChI=1S/C7H12N2O4/c1-8-6(10)13-4-5-2-3-9(5)7(11)12/h5H,2-4H2,1H3,(H,8,10)(H,11,12)
InChIKeyPABMTHZLOMQVBO-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.09
Rot. Bonds2

About 2-(methylcarbamoyloxymethyl)azetidine-1-carboxylic acid

2-(methylcarbamoyloxymethyl)azetidine-1-carboxylic acid (PubChem CID 126643654) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-(methylcarbamoyloxymethyl)azetidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(methylcarbamoyloxymethyl)azetidine-1-carboxylic acid
PubChem CID126643654
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name2-(methylcarbamoyloxymethyl)azetidine-1-carboxylic acid
SMILESCNC(=O)OCC1CCN1C(=O)O
InChIInChI=1S/C7H12N2O4/c1-8-6(10)13-4-5-2-3-9(5)7(11)12/h5H,2-4H2,1H3,(H,8,10)(H,11,12)
InChIKeyPABMTHZLOMQVBO-UHFFFAOYSA-N
XLogP0.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylcarbamoyloxymethyl)azetidine-1-carboxylic acid
CID 126643615
[(3R,8R)-8-(hydroxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methylcarbamate
CID 166533142
2-(bromomethyl)azetidine-1-carboxylic acid
CID 154005455
cycloheptylmethyl N-methylcarbamate
CID 57322822
1-[2-(methoxymethyl)azetidin-1-yl]ethanone
CID 176625607
[1-(5-propan-2-yloxypyrazine-2-carbonyl)piperidin-2-yl]methyl N-methylcarbamate
CID 126813332
(2R)-2-[(5-bromo-1-methylpyrazol-4-yl)oxymethyl]azetidine-1-carboxylic acid
CID 174155211
(2S)-2-[[(2,2,2-trifluoroacetyl)amino]methyl]azetidine-1-carboxylic acid
CID 155026820
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
4-formyl-2-methylpiperidine-1-carboxylic acid
CID 174419817
(1,2-dimethylpyrazolidin-3-yl)methyl N-phenylcarbamate
CID 12650344
[4-(4-hydroxybutyl)cyclohexyl]methyl N-methylcarbamate
CID 150689675

Frequently Asked Questions

What is the IUPAC name of 2-(methylcarbamoyloxymethyl)azetidine-1-carboxylic acid?
The IUPAC name of 2-(methylcarbamoyloxymethyl)azetidine-1-carboxylic acid (CID 126643654) is 2-(methylcarbamoyloxymethyl)azetidine-1-carboxylic acid.
What is the SMILES notation for 2-(methylcarbamoyloxymethyl)azetidine-1-carboxylic acid?
The canonical SMILES for 2-(methylcarbamoyloxymethyl)azetidine-1-carboxylic acid is CNC(=O)OCC1CCN1C(=O)O.
What is the InChIKey of 2-(methylcarbamoyloxymethyl)azetidine-1-carboxylic acid?
The InChIKey is PABMTHZLOMQVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c1-8-6(10)13-4-5-2-3-9(5)7(11)12/h5H,2-4H2,1H3,(H,8,10)(H,11,12).
What are the key properties of 2-(methylcarbamoyloxymethyl)azetidine-1-carboxylic acid?
2-(methylcarbamoyloxymethyl)azetidine-1-carboxylic acid has a molecular weight of 188.18 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylcarbamoyloxymethyl)azetidine-1-carboxylic acid is sourced from PubChem (CID 126643654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).