cis-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate

C17H21NO3 — CID 8019669

About cis-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate

cis-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate (PubChem CID 8019669) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is cis-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: cis-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
• PubChem CID: 8019669
• Molecular Formula: C17H21NO3
• Molecular Weight: 287.36 g/mol
• Exact Mass: 287.15
• IUPAC Name: cis-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
• SMILES: C[C@@H]1C[C@@H]1C(=O)OCC(=O)N[C@@H]1CCCc2ccccc21
• InChI: InChI=1S/C17H21NO3/c1-11-9-14(11)17(20)21-10-16(19)18-15-8-4-6-12-5-2-3-7-13(12)15/h2-3,5,7,11,14-15H,4,6,8-10H2,1H3,(H,18,19)/t11-,14+,15-/m1/s1
• InChIKey: VNKZPKSRRAPJTN-BYCMXARLSA-N
• XLogP: 2.38
• TPSA: 55.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	287.36
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of cis-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate?

The IUPAC name of cis-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate (CID 8019669) is cis-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate.

What is the SMILES notation for cis-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate?

The canonical SMILES for cis-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate is C[C@@H]1C[C@@H]1C(=O)OCC(=O)N[C@@H]1CCCc2ccccc21.

What is the InChIKey of cis-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate?

The InChIKey is VNKZPKSRRAPJTN-BYCMXARLSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11-9-14(11)17(20)21-10-16(19)18-15-8-4-6-12-5-2-3-7-13(12)15/h2-3,5,7,11,14-15H,4,6,8-10H2,1H3,(H,18,19)/t11-,14+,15-/m1/s1.

What are the key properties of cis-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate?

cis-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for cis-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 8019669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).