2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[2-methylpropyl(propan-2-yl)amino]azetidin-3-yl]acetic acid

C17H32N2O4 — CID 107141724

About 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[2-methylpropyl(propan-2-yl)amino]azetidin-3-yl]acetic acid

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[2-methylpropyl(propan-2-yl)amino]azetidin-3-yl]acetic acid (PubChem CID 107141724) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[2-methylpropyl(propan-2-yl)amino]azetidin-3-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[2-methylpropyl(propan-2-yl)amino]azetidin-3-yl]acetic acid
• PubChem CID: 107141724
• Molecular Formula: C17H32N2O4
• Molecular Weight: 328.45 g/mol
• Exact Mass: 328.24
• IUPAC Name: 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[2-methylpropyl(propan-2-yl)amino]azetidin-3-yl]acetic acid
• SMILES: CC(C)CN(C(C)C)C1(CC(=O)O)CN(C(=O)OC(C)(C)C)C1
• InChI: InChI=1S/C17H32N2O4/c1-12(2)9-19(13(3)4)17(8-14(20)21)10-18(11-17)15(22)23-16(5,6)7/h12-13H,8-11H2,1-7H3,(H,20,21)
• InChIKey: BFAXHEMSRSDECH-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 70.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.45
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[2-methylpropyl(propan-2-yl)amino]azetidin-3-yl]acetic acid (CID 107141724) is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[2-methylpropyl(propan-2-yl)amino]azetidin-3-yl]acetic acid.

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

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

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

The InChIKey is BFAXHEMSRSDECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O4/c1-12(2)9-19(13(3)4)17(8-14(20)21)10-18(11-17)15(22)23-16(5,6)7/h12-13H,8-11H2,1-7H3,(H,20,21).

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

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[2-methylpropyl(propan-2-yl)amino]azetidin-3-yl]acetic acid has a molecular weight of 328.45 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[2-methylpropyl(propan-2-yl)amino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107141724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).