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]-7-azaspiro[3.5]nonane-7-carboxylate

C27H44N4O7 — CID 164603026

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]-7-azaspiro[3.5]nonane-7-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]-7-azaspiro[3.5]nonane-7-carboxylate (PubChem CID 164603026) has the molecular formula C27H44N4O7 and a molecular weight of 536.67 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]-7-azaspiro[3.5]nonane-7-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]-7-azaspiro[3.5]nonane-7-carboxylate
• PubChem CID: 164603026
• Molecular Formula: C27H44N4O7
• Molecular Weight: 536.67 g/mol
• Exact Mass: 536.32
• 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]-7-azaspiro[3.5]nonane-7-carboxylate
• SMILES: CC(C)C[C@H](NC(=O)OC1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O
• InChI: InChI=1S/C27H44N4O7/c1-17(2)12-21(23(34)29-19(16-32)13-18-6-9-28-22(18)33)30-24(35)37-20-14-27(15-20)7-10-31(11-8-27)25(36)38-26(3,4)5/h16-21H,6-15H2,1-5H3,(H,28,33)(H,29,34)(H,30,35)/t18-,19+,21+/m1/s1
• InChIKey: UDPYBAWKLIGYCT-DYXWJJEUSA-N
• XLogP: 2.52
• TPSA: 143.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.67
LogP ≤ 5	2.52
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]-7-azaspiro[3.5]nonane-7-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]-7-azaspiro[3.5]nonane-7-carboxylate (CID 164603026) 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]-7-azaspiro[3.5]nonane-7-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]-7-azaspiro[3.5]nonane-7-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]-7-azaspiro[3.5]nonane-7-carboxylate is CC(C)C[C@H](NC(=O)OC1CC2(CCN(C(=O)OC(C)(C)C)CC2)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]-7-azaspiro[3.5]nonane-7-carboxylate?

The InChIKey is UDPYBAWKLIGYCT-DYXWJJEUSA-N. The full InChI is InChI=1S/C27H44N4O7/c1-17(2)12-21(23(34)29-19(16-32)13-18-6-9-28-22(18)33)30-24(35)37-20-14-27(15-20)7-10-31(11-8-27)25(36)38-26(3,4)5/h16-21H,6-15H2,1-5H3,(H,28,33)(H,29,34)(H,30,35)/t18-,19+,21+/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]-7-azaspiro[3.5]nonane-7-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]-7-azaspiro[3.5]nonane-7-carboxylate has a molecular weight of 536.67 g/mol, XLogP of 2.52, 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]-7-azaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 164603026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).