tert-butyl 6-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-2-azaspiro[3.3]heptane-2-carboxylate

C25H40N4O7 — CID 164603049

About tert-butyl 6-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-2-azaspiro[3.3]heptane-2-carboxylate

tert-butyl 6-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-2-azaspiro[3.3]heptane-2-carboxylate (PubChem CID 164603049) has the molecular formula C25H40N4O7 and a molecular weight of 508.62 g/mol. Its IUPAC name is tert-butyl 6-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-2-azaspiro[3.3]heptane-2-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 6-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-2-azaspiro[3.3]heptane-2-carboxylate
• PubChem CID: 164603049
• Molecular Formula: C25H40N4O7
• Molecular Weight: 508.62 g/mol
• Exact Mass: 508.29
• IUPAC Name: tert-butyl 6-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-2-azaspiro[3.3]heptane-2-carboxylate
• SMILES: CC(C)C[C@H](NC(=O)OC1CC2(C1)CN(C(=O)OC(C)(C)C)C2)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O
• InChI: InChI=1S/C25H40N4O7/c1-15(2)8-19(21(32)27-17(12-30)9-16-6-7-26-20(16)31)28-22(33)35-18-10-25(11-18)13-29(14-25)23(34)36-24(3,4)5/h12,15-19H,6-11,13-14H2,1-5H3,(H,26,31)(H,27,32)(H,28,33)/t16-,17+,19+/m1/s1
• InChIKey: LYKXEPXXGWKVPB-AOIWGVFYSA-N
• XLogP: 1.74
• TPSA: 143.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.62
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-2-azaspiro[3.3]heptane-2-carboxylate?

The IUPAC name of tert-butyl 6-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-2-azaspiro[3.3]heptane-2-carboxylate (CID 164603049) is tert-butyl 6-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-2-azaspiro[3.3]heptane-2-carboxylate.

What is the SMILES notation for tert-butyl 6-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-2-azaspiro[3.3]heptane-2-carboxylate?

The canonical SMILES for tert-butyl 6-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-2-azaspiro[3.3]heptane-2-carboxylate is CC(C)C[C@H](NC(=O)OC1CC2(C1)CN(C(=O)OC(C)(C)C)C2)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O.

What is the InChIKey of tert-butyl 6-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-2-azaspiro[3.3]heptane-2-carboxylate?

The InChIKey is LYKXEPXXGWKVPB-AOIWGVFYSA-N. The full InChI is InChI=1S/C25H40N4O7/c1-15(2)8-19(21(32)27-17(12-30)9-16-6-7-26-20(16)31)28-22(33)35-18-10-25(11-18)13-29(14-25)23(34)36-24(3,4)5/h12,15-19H,6-11,13-14H2,1-5H3,(H,26,31)(H,27,32)(H,28,33)/t16-,17+,19+/m1/s1.

What are the key properties of tert-butyl 6-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-2-azaspiro[3.3]heptane-2-carboxylate?

tert-butyl 6-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-2-azaspiro[3.3]heptane-2-carboxylate has a molecular weight of 508.62 g/mol, XLogP of 1.74, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 6-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-2-azaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 164603049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).