1-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylimino]ethyl]cyclopropane-1-carboxylic acid

C16H26N2O7 — CID 76811167

About 1-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylimino]ethyl]cyclopropane-1-carboxylic acid

1-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylimino]ethyl]cyclopropane-1-carboxylic acid (PubChem CID 76811167) has the molecular formula C16H26N2O7 and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylimino]ethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

• Compound Name: 1-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylimino]ethyl]cyclopropane-1-carboxylic acid
• PubChem CID: 76811167
• Molecular Formula: C16H26N2O7
• Molecular Weight: 358.39 g/mol
• Exact Mass: 358.17
• IUPAC Name: 1-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylimino]ethyl]cyclopropane-1-carboxylic acid
• SMILES: CC(C)(C)OC(=O)N=C(CC1CC1(O)C(=O)O)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C16H26N2O7/c1-14(2,3)24-12(21)17-10(18-13(22)25-15(4,5)6)7-9-8-16(9,23)11(19)20/h9,23H,7-8H2,1-6H3,(H,19,20)(H,17,18,21,22)
• InChIKey: GWIWISGWJAGQMF-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 134.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.39
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylimino]ethyl]cyclopropane-1-carboxylic acid?

The IUPAC name of 1-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylimino]ethyl]cyclopropane-1-carboxylic acid (CID 76811167) is 1-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylimino]ethyl]cyclopropane-1-carboxylic acid.

What is the SMILES notation for 1-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylimino]ethyl]cyclopropane-1-carboxylic acid?

The canonical SMILES for 1-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylimino]ethyl]cyclopropane-1-carboxylic acid is CC(C)(C)OC(=O)N=C(CC1CC1(O)C(=O)O)NC(=O)OC(C)(C)C.

What is the InChIKey of 1-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylimino]ethyl]cyclopropane-1-carboxylic acid?

The InChIKey is GWIWISGWJAGQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O7/c1-14(2,3)24-12(21)17-10(18-13(22)25-15(4,5)6)7-9-8-16(9,23)11(19)20/h9,23H,7-8H2,1-6H3,(H,19,20)(H,17,18,21,22).

What are the key properties of 1-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylimino]ethyl]cyclopropane-1-carboxylic acid?

1-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylimino]ethyl]cyclopropane-1-carboxylic acid has a molecular weight of 358.39 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylimino]ethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 76811167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).