3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]cyclobutane-1-carboxylic acid

C13H21NO4 — CID 122164177

IUPAC3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC([C@H]2C[C@@H](C(=O)O)C2)C1
InChIInChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-6-10(7-14)8-4-9(5-8)11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)/t8-,9+
InChIKeyCTRHAKDBMSOFHK-DTORHVGOSA-N
MW255.31 g/mol
LogP1.96
Rot. Bonds2

About 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]cyclobutane-1-carboxylic acid

3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]cyclobutane-1-carboxylic acid (PubChem CID 122164177) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]cyclobutane-1-carboxylic acid
PubChem CID122164177
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC([C@H]2C[C@@H](C(=O)O)C2)C1
InChIInChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-6-10(7-14)8-4-9(5-8)11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)/t8-,9+
InChIKeyCTRHAKDBMSOFHK-DTORHVGOSA-N
XLogP1.96
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]cyclobutane-1-carboxylic acid (CID 122164177) is 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]cyclobutane-1-carboxylic acid is CC(C)(C)OC(=O)N1CC([C@H]2C[C@@H](C(=O)O)C2)C1.
What is the InChIKey of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]cyclobutane-1-carboxylic acid?
The InChIKey is CTRHAKDBMSOFHK-DTORHVGOSA-N. The full InChI is InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-6-10(7-14)8-4-9(5-8)11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)/t8-,9+.
What are the key properties of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]cyclobutane-1-carboxylic acid?
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]cyclobutane-1-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 122164177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).