methyl (2R,3R)-3-methyl-2-[[2-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]oxyacetyl]amino]pentanoate

C20H31N3O7 — CID 11936304

About methyl (2R,3R)-3-methyl-2-[[2-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]oxyacetyl]amino]pentanoate

methyl (2R,3R)-3-methyl-2-[[2-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]oxyacetyl]amino]pentanoate (PubChem CID 11936304) has the molecular formula C20H31N3O7 and a molecular weight of 425.48 g/mol. Its IUPAC name is methyl (2R,3R)-3-methyl-2-[[2-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]oxyacetyl]amino]pentanoate.

Molecular Properties

• Compound Name: methyl (2R,3R)-3-methyl-2-[[2-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]oxyacetyl]amino]pentanoate
• PubChem CID: 11936304
• Molecular Formula: C20H31N3O7
• Molecular Weight: 425.48 g/mol
• Exact Mass: 425.22
• IUPAC Name: methyl (2R,3R)-3-methyl-2-[[2-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]oxyacetyl]amino]pentanoate
• SMILES: CC[C@@H](C)[C@@H](NC(=O)COC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)C(=O)OC
• InChI: InChI=1S/C20H31N3O7/c1-5-12(2)16(17(26)29-4)21-14(24)11-30-15(25)10-23-18(27)20(22-19(23)28)9-7-6-8-13(20)3/h12-13,16H,5-11H2,1-4H3,(H,21,24)(H,22,28)/t12-,13+,16-,20+/m1/s1
• InChIKey: XVSVSLDPCGIYOP-LROULRCXSA-N
• XLogP: 0.73
• TPSA: 131.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.48
LogP ≤ 5	0.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-methyl-2-[[2-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]oxyacetyl]amino]pentanoate?

The IUPAC name of methyl (2R,3R)-3-methyl-2-[[2-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]oxyacetyl]amino]pentanoate (CID 11936304) is methyl (2R,3R)-3-methyl-2-[[2-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]oxyacetyl]amino]pentanoate.

What is the SMILES notation for methyl (2R,3R)-3-methyl-2-[[2-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]oxyacetyl]amino]pentanoate?

The canonical SMILES for methyl (2R,3R)-3-methyl-2-[[2-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]oxyacetyl]amino]pentanoate is CC[C@@H](C)[C@@H](NC(=O)COC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)C(=O)OC.

What is the InChIKey of methyl (2R,3R)-3-methyl-2-[[2-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]oxyacetyl]amino]pentanoate?

The InChIKey is XVSVSLDPCGIYOP-LROULRCXSA-N. The full InChI is InChI=1S/C20H31N3O7/c1-5-12(2)16(17(26)29-4)21-14(24)11-30-15(25)10-23-18(27)20(22-19(23)28)9-7-6-8-13(20)3/h12-13,16H,5-11H2,1-4H3,(H,21,24)(H,22,28)/t12-,13+,16-,20+/m1/s1.

What are the key properties of methyl (2R,3R)-3-methyl-2-[[2-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]oxyacetyl]amino]pentanoate?

methyl (2R,3R)-3-methyl-2-[[2-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]oxyacetyl]amino]pentanoate has a molecular weight of 425.48 g/mol, XLogP of 0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2R,3R)-3-methyl-2-[[2-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]oxyacetyl]amino]pentanoate is sourced from PubChem (CID 11936304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).