2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(4-oxopiperidin-1-yl)azetidin-3-yl]acetic acid

C15H24N2O5 — CID 107141592

IUPAC2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(4-oxopiperidin-1-yl)azetidin-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CC(CC(=O)O)(N2CCC(=O)CC2)C1
InChIInChI=1S/C15H24N2O5/c1-14(2,3)22-13(21)16-9-15(10-16,8-12(19)20)17-6-4-11(18)5-7-17/h4-10H2,1-3H3,(H,19,20)
InChIKeyKAUPCZBTJGGWOG-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.12
Rot. Bonds3

About 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(4-oxopiperidin-1-yl)azetidin-3-yl]acetic acid

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(4-oxopiperidin-1-yl)azetidin-3-yl]acetic acid (PubChem CID 107141592) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(4-oxopiperidin-1-yl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(4-oxopiperidin-1-yl)azetidin-3-yl]acetic acid
PubChem CID107141592
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(4-oxopiperidin-1-yl)azetidin-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CC(CC(=O)O)(N2CCC(=O)CC2)C1
InChIInChI=1S/C15H24N2O5/c1-14(2,3)22-13(21)16-9-15(10-16,8-12(19)20)17-6-4-11(18)5-7-17/h4-10H2,1-3H3,(H,19,20)
InChIKeyKAUPCZBTJGGWOG-UHFFFAOYSA-N
XLogP1.12
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(4-oxopiperidin-1-yl)azetidin-3-yl]acetic acid with MolForge

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Related Compounds

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylazetidin-3-yl]acetic acid
CID 107141436
2-[3-(3-ethylpyrrolidin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 107141983
2-[3-(2-methylmorpholin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 107141431
tert-butyl 4-oxopiperidine-1-carboxylate;methane
CID 156835039
tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
CID 160805551
2-[3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 107141994
2-[3-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 107140750
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[2-methylpropyl(propan-2-yl)amino]azetidin-3-yl]acetic acid
CID 107141724
2-[3-(2-fluorophenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 107140665
2-[3-aminooxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetic acid
CID 165448168
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxyazetidin-3-yl]acetic acid
CID 165457653
4-(2-ethoxy-2-oxoethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxoazepane-4-carboxylic acid
CID 154240158

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(4-oxopiperidin-1-yl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(4-oxopiperidin-1-yl)azetidin-3-yl]acetic acid (CID 107141592) is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(4-oxopiperidin-1-yl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(4-oxopiperidin-1-yl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(4-oxopiperidin-1-yl)azetidin-3-yl]acetic acid is CC(C)(C)OC(=O)N1CC(CC(=O)O)(N2CCC(=O)CC2)C1.
What is the InChIKey of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(4-oxopiperidin-1-yl)azetidin-3-yl]acetic acid?
The InChIKey is KAUPCZBTJGGWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-14(2,3)22-13(21)16-9-15(10-16,8-12(19)20)17-6-4-11(18)5-7-17/h4-10H2,1-3H3,(H,19,20).
What are the key properties of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(4-oxopiperidin-1-yl)azetidin-3-yl]acetic acid?
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(4-oxopiperidin-1-yl)azetidin-3-yl]acetic acid has a molecular weight of 312.37 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(4-oxopiperidin-1-yl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107141592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).