2-[3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid

C15H28N2O5 — CID 107141994

About 2-[3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid

2-[3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid (PubChem CID 107141994) has the molecular formula C15H28N2O5 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
• PubChem CID: 107141994
• Molecular Formula: C15H28N2O5
• Molecular Weight: 316.40 g/mol
• Exact Mass: 316.20
• IUPAC Name: 2-[3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
• SMILES: CN(C(C)(C)CO)C1(CC(=O)O)CN(C(=O)OC(C)(C)C)C1
• InChI: InChI=1S/C15H28N2O5/c1-13(2,3)22-12(21)17-8-15(9-17,7-11(19)20)16(6)14(4,5)10-18/h18H,7-10H2,1-6H3,(H,19,20)
• InChIKey: KDLAWNDCPHDHSA-UHFFFAOYSA-N
• XLogP: 1.15
• TPSA: 90.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.40
LogP ≤ 5	1.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?

The IUPAC name of 2-[3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid (CID 107141994) is 2-[3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid.

What is the SMILES notation for 2-[3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?

The canonical SMILES for 2-[3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid is CN(C(C)(C)CO)C1(CC(=O)O)CN(C(=O)OC(C)(C)C)C1.

What is the InChIKey of 2-[3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?

The InChIKey is KDLAWNDCPHDHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O5/c1-13(2,3)22-12(21)17-8-15(9-17,7-11(19)20)16(6)14(4,5)10-18/h18H,7-10H2,1-6H3,(H,19,20).

What are the key properties of 2-[3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?

2-[3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid has a molecular weight of 316.40 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107141994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).