2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)azetidin-3-yl]acetic acid

C16H26N2O5 — CID 107142897

About 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)azetidin-3-yl]acetic acid

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)azetidin-3-yl]acetic acid (PubChem CID 107142897) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)azetidin-3-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)azetidin-3-yl]acetic acid
• PubChem CID: 107142897
• Molecular Formula: C16H26N2O5
• Molecular Weight: 326.39 g/mol
• Exact Mass: 326.18
• IUPAC Name: 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)azetidin-3-yl]acetic acid
• SMILES: CC(C)(C)OC(=O)N1CC(CC(=O)O)(NC2CC3CCC2O3)C1
• InChI: InChI=1S/C16H26N2O5/c1-15(2,3)23-14(21)18-8-16(9-18,7-13(19)20)17-11-6-10-4-5-12(11)22-10/h10-12,17H,4-9H2,1-3H3,(H,19,20)
• InChIKey: SOXALCOJMRRKDP-UHFFFAOYSA-N
• XLogP: 1.36
• TPSA: 88.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.39
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)azetidin-3-yl]acetic acid?

The IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)azetidin-3-yl]acetic acid (CID 107142897) is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)azetidin-3-yl]acetic acid.

What is the SMILES notation for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)azetidin-3-yl]acetic acid?

The canonical SMILES for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)azetidin-3-yl]acetic acid is CC(C)(C)OC(=O)N1CC(CC(=O)O)(NC2CC3CCC2O3)C1.

What is the InChIKey of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)azetidin-3-yl]acetic acid?

The InChIKey is SOXALCOJMRRKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5/c1-15(2,3)23-14(21)18-8-16(9-18,7-13(19)20)17-11-6-10-4-5-12(11)22-10/h10-12,17H,4-9H2,1-3H3,(H,19,20).

What are the key properties of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)azetidin-3-yl]acetic acid?

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)azetidin-3-yl]acetic acid has a molecular weight of 326.39 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 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-(7-oxabicyclo[2.2.1]heptan-2-ylamino)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107142897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).