(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[(1R,4Z,8S,9S)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

C27H42N2O10 — CID 154992920

About (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[(1R,4Z,8S,9S)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[(1R,4Z,8S,9S)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (PubChem CID 154992920) has the molecular formula C27H42N2O10 and a molecular weight of 554.64 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[(1R,4Z,8S,9S)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[(1R,4Z,8S,9S)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• PubChem CID: 154992920
• Molecular Formula: C27H42N2O10
• Molecular Weight: 554.64 g/mol
• Exact Mass: 554.28
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[(1R,4Z,8S,9S)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• SMILES: C/C1=C/CC[C@H]2[C@@H](CC1)[C@H]2COC(=O)NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C27H42N2O10/c1-20-3-2-4-21-22(6-5-20)23(21)19-38-27(33)28-10-12-35-14-16-37-18-17-36-15-13-34-11-9-26(32)39-29-24(30)7-8-25(29)31/h3,21-23H,2,4-19H2,1H3,(H,28,33)/b20-3-/t21-,22+,23-/m0/s1
• InChIKey: IDLGZHBYMCVSID-KRILWEMHSA-N
• XLogP: 2.16
• TPSA: 138.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.64
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[(1R,4Z,8S,9S)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[(1R,4Z,8S,9S)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (CID 154992920) is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[(1R,4Z,8S,9S)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[(1R,4Z,8S,9S)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[(1R,4Z,8S,9S)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate is C/C1=C/CC[C@H]2[C@@H](CC1)[C@H]2COC(=O)NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[(1R,4Z,8S,9S)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?

The InChIKey is IDLGZHBYMCVSID-KRILWEMHSA-N. The full InChI is InChI=1S/C27H42N2O10/c1-20-3-2-4-21-22(6-5-20)23(21)19-38-27(33)28-10-12-35-14-16-37-18-17-36-15-13-34-11-9-26(32)39-29-24(30)7-8-25(29)31/h3,21-23H,2,4-19H2,1H3,(H,28,33)/b20-3-/t21-,22+,23-/m0/s1.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[(1R,4Z,8S,9S)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[(1R,4Z,8S,9S)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate has a molecular weight of 554.64 g/mol, XLogP of 2.16, 18 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[(1R,4Z,8S,9S)-4-methyl-9-bicyclo[6.1.0]non-4-enyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 154992920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).