3-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid

C11H19NO5 — CID 59569585

IUPAC3-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
SMILESCOCC1(C(=O)O)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-5-11(6-12,7-16-4)8(13)14/h5-7H2,1-4H3,(H,13,14)
InChIKeyUTOOCYALFSVPKF-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.95
Rot. Bonds3

About 3-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid

3-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid (PubChem CID 59569585) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
PubChem CID59569585
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name3-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
SMILESCOCC1(C(=O)O)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-5-11(6-12,7-16-4)8(13)14/h5-7H2,1-4H3,(H,13,14)
InChIKeyUTOOCYALFSVPKF-UHFFFAOYSA-N
XLogP0.95
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid?
The IUPAC name of 3-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid (CID 59569585) is 3-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 3-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid?
The canonical SMILES for 3-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid is COCC1(C(=O)O)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 3-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid?
The InChIKey is UTOOCYALFSVPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-5-11(6-12,7-16-4)8(13)14/h5-7H2,1-4H3,(H,13,14).
What are the key properties of 3-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid?
3-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid has a molecular weight of 245.27 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 59569585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).