tert-butyl 2-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-6-azaspiro[3.4]octane-6-carboxylate

C26H42N4O7 — CID 164603008

About tert-butyl 2-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-6-azaspiro[3.4]octane-6-carboxylate

tert-butyl 2-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-6-azaspiro[3.4]octane-6-carboxylate (PubChem CID 164603008) has the molecular formula C26H42N4O7 and a molecular weight of 522.64 g/mol. Its IUPAC name is tert-butyl 2-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-6-azaspiro[3.4]octane-6-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 2-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-6-azaspiro[3.4]octane-6-carboxylate
• PubChem CID: 164603008
• Molecular Formula: C26H42N4O7
• Molecular Weight: 522.64 g/mol
• Exact Mass: 522.31
• IUPAC Name: tert-butyl 2-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-6-azaspiro[3.4]octane-6-carboxylate
• SMILES: CC(C)C[C@H](NC(=O)OC1CC2(CCN(C(=O)OC(C)(C)C)C2)C1)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O
• InChI: InChI=1S/C26H42N4O7/c1-16(2)10-20(22(33)28-18(14-31)11-17-6-8-27-21(17)32)29-23(34)36-19-12-26(13-19)7-9-30(15-26)24(35)37-25(3,4)5/h14,16-20H,6-13,15H2,1-5H3,(H,27,32)(H,28,33)(H,29,34)/t17-,18+,19?,20+,26?/m1/s1
• InChIKey: CTESNTDBHXHCDT-QHRBKQDCSA-N
• XLogP: 2.13
• TPSA: 143.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.64
LogP ≤ 5	2.13
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 2-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-6-azaspiro[3.4]octane-6-carboxylate?

The IUPAC name of tert-butyl 2-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-6-azaspiro[3.4]octane-6-carboxylate (CID 164603008) is tert-butyl 2-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-6-azaspiro[3.4]octane-6-carboxylate.

What is the SMILES notation for tert-butyl 2-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-6-azaspiro[3.4]octane-6-carboxylate?

The canonical SMILES for tert-butyl 2-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-6-azaspiro[3.4]octane-6-carboxylate is CC(C)C[C@H](NC(=O)OC1CC2(CCN(C(=O)OC(C)(C)C)C2)C1)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O.

What is the InChIKey of tert-butyl 2-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-6-azaspiro[3.4]octane-6-carboxylate?

The InChIKey is CTESNTDBHXHCDT-QHRBKQDCSA-N. The full InChI is InChI=1S/C26H42N4O7/c1-16(2)10-20(22(33)28-18(14-31)11-17-6-8-27-21(17)32)29-23(34)36-19-12-26(13-19)7-9-30(15-26)24(35)37-25(3,4)5/h14,16-20H,6-13,15H2,1-5H3,(H,27,32)(H,28,33)(H,29,34)/t17-,18+,19?,20+,26?/m1/s1.

What are the key properties of tert-butyl 2-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-6-azaspiro[3.4]octane-6-carboxylate?

tert-butyl 2-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-6-azaspiro[3.4]octane-6-carboxylate has a molecular weight of 522.64 g/mol, XLogP of 2.13, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]-6-azaspiro[3.4]octane-6-carboxylate is sourced from PubChem (CID 164603008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).