2-amino-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]-N-methoxypropanamide

C19H26N2O4 — CID 118440031

About 2-amino-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]-N-methoxypropanamide

2-amino-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]-N-methoxypropanamide (PubChem CID 118440031) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-amino-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]-N-methoxypropanamide.

Molecular Properties

• Compound Name: 2-amino-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]-N-methoxypropanamide
• PubChem CID: 118440031
• Molecular Formula: C19H26N2O4
• Molecular Weight: 346.43 g/mol
• Exact Mass: 346.19
• IUPAC Name: 2-amino-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]-N-methoxypropanamide
• SMILES: CON(CC1=C(C)C=C2C(=O)[C@](C)(O)C3(CC3)C(C)=C21)C(=O)C(C)N
• InChI: InChI=1S/C19H26N2O4/c1-10-8-13-15(14(10)9-21(25-5)17(23)12(3)20)11(2)19(6-7-19)18(4,24)16(13)22/h8,12,24H,6-7,9,20H2,1-5H3/t12?,18-/m0/s1
• InChIKey: ZCUKZGRULHXWSB-ZJFPTPTDSA-N
• XLogP: 1.41
• TPSA: 92.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.43
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]-N-methoxypropanamide?

The IUPAC name of 2-amino-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]-N-methoxypropanamide (CID 118440031) is 2-amino-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]-N-methoxypropanamide.

What is the SMILES notation for 2-amino-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]-N-methoxypropanamide?

The canonical SMILES for 2-amino-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]-N-methoxypropanamide is CON(CC1=C(C)C=C2C(=O)[C@](C)(O)C3(CC3)C(C)=C21)C(=O)C(C)N.

What is the InChIKey of 2-amino-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]-N-methoxypropanamide?

The InChIKey is ZCUKZGRULHXWSB-ZJFPTPTDSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-10-8-13-15(14(10)9-21(25-5)17(23)12(3)20)11(2)19(6-7-19)18(4,24)16(13)22/h8,12,24H,6-7,9,20H2,1-5H3/t12?,18-/m0/s1.

What are the key properties of 2-amino-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]-N-methoxypropanamide?

2-amino-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]-N-methoxypropanamide has a molecular weight of 346.43 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]-N-methoxypropanamide is sourced from PubChem (CID 118440031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).