2-[(2S,3R)-3-acetyloxy-1-methoxy-5,5-dimethyl-1-oxohexan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylic acid

C18H28N2O7 — CID 135315479

About 2-[(2S,3R)-3-acetyloxy-1-methoxy-5,5-dimethyl-1-oxohexan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylic acid

2-[(2S,3R)-3-acetyloxy-1-methoxy-5,5-dimethyl-1-oxohexan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylic acid (PubChem CID 135315479) has the molecular formula C18H28N2O7 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-[(2S,3R)-3-acetyloxy-1-methoxy-5,5-dimethyl-1-oxohexan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-[(2S,3R)-3-acetyloxy-1-methoxy-5,5-dimethyl-1-oxohexan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylic acid
• PubChem CID: 135315479
• Molecular Formula: C18H28N2O7
• Molecular Weight: 384.43 g/mol
• Exact Mass: 384.19
• IUPAC Name: 2-[(2S,3R)-3-acetyloxy-1-methoxy-5,5-dimethyl-1-oxohexan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylic acid
• SMILES: COC(=O)[C@H]([C@@H](CC(C)(C)C)OC(C)=O)N1CC2(CCCN2C(=O)O)C1=O
• InChI: InChI=1S/C18H28N2O7/c1-11(21)27-12(9-17(2,3)4)13(14(22)26-5)19-10-18(15(19)23)7-6-8-20(18)16(24)25/h12-13H,6-10H2,1-5H3,(H,24,25)/t12-,13+,18?/m1/s1
• InChIKey: VISZXXLMKLRNPZ-ACYVDPJOSA-N
• XLogP: 1.25
• TPSA: 113.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.43
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R)-3-acetyloxy-1-methoxy-5,5-dimethyl-1-oxohexan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylic acid?

The IUPAC name of 2-[(2S,3R)-3-acetyloxy-1-methoxy-5,5-dimethyl-1-oxohexan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylic acid (CID 135315479) is 2-[(2S,3R)-3-acetyloxy-1-methoxy-5,5-dimethyl-1-oxohexan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylic acid.

What is the SMILES notation for 2-[(2S,3R)-3-acetyloxy-1-methoxy-5,5-dimethyl-1-oxohexan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylic acid?

The canonical SMILES for 2-[(2S,3R)-3-acetyloxy-1-methoxy-5,5-dimethyl-1-oxohexan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylic acid is COC(=O)[C@H]([C@@H](CC(C)(C)C)OC(C)=O)N1CC2(CCCN2C(=O)O)C1=O.

What is the InChIKey of 2-[(2S,3R)-3-acetyloxy-1-methoxy-5,5-dimethyl-1-oxohexan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylic acid?

The InChIKey is VISZXXLMKLRNPZ-ACYVDPJOSA-N. The full InChI is InChI=1S/C18H28N2O7/c1-11(21)27-12(9-17(2,3)4)13(14(22)26-5)19-10-18(15(19)23)7-6-8-20(18)16(24)25/h12-13H,6-10H2,1-5H3,(H,24,25)/t12-,13+,18?/m1/s1.

What are the key properties of 2-[(2S,3R)-3-acetyloxy-1-methoxy-5,5-dimethyl-1-oxohexan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylic acid?

2-[(2S,3R)-3-acetyloxy-1-methoxy-5,5-dimethyl-1-oxohexan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylic acid has a molecular weight of 384.43 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S,3R)-3-acetyloxy-1-methoxy-5,5-dimethyl-1-oxohexan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylic acid is sourced from PubChem (CID 135315479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).