[(4Z)-9-bicyclo[6.1.0]non-4-enyl]methyl N-[2-[2-[2-[2-[3-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

C28H48N2O8 — CID 139308754

About [(4Z)-9-bicyclo[6.1.0]non-4-enyl]methyl N-[2-[2-[2-[2-[3-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

[(4Z)-9-bicyclo[6.1.0]non-4-enyl]methyl N-[2-[2-[2-[2-[3-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 139308754) has the molecular formula C28H48N2O8 and a molecular weight of 540.70 g/mol. Its IUPAC name is [(4Z)-9-bicyclo[6.1.0]non-4-enyl]methyl N-[2-[2-[2-[2-[3-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

• Compound Name: [(4Z)-9-bicyclo[6.1.0]non-4-enyl]methyl N-[2-[2-[2-[2-[3-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
• PubChem CID: 139308754
• Molecular Formula: C28H48N2O8
• Molecular Weight: 540.70 g/mol
• Exact Mass: 540.34
• IUPAC Name: [(4Z)-9-bicyclo[6.1.0]non-4-enyl]methyl N-[2-[2-[2-[2-[3-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
• SMILES: CC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)OCC1C2CC/C=C\CCC21)C(C)C
• InChI: InChI=1S/C28H48N2O8/c1-21(2)27(22(3)31)30-26(32)10-12-34-14-16-36-18-19-37-17-15-35-13-11-29-28(33)38-20-25-23-8-6-4-5-7-9-24(23)25/h4-5,21,23-25,27H,6-20H2,1-3H3,(H,29,33)(H,30,32)/b5-4-/t23?,24?,25?,27-/m0/s1
• InChIKey: DLVWXDWCUDNRDA-AFOGQDHKSA-N
• XLogP: 2.89
• TPSA: 121.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 20
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.70
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(4Z)-9-bicyclo[6.1.0]non-4-enyl]methyl N-[2-[2-[2-[2-[3-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

The IUPAC name of [(4Z)-9-bicyclo[6.1.0]non-4-enyl]methyl N-[2-[2-[2-[2-[3-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 139308754) is [(4Z)-9-bicyclo[6.1.0]non-4-enyl]methyl N-[2-[2-[2-[2-[3-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.

What is the SMILES notation for [(4Z)-9-bicyclo[6.1.0]non-4-enyl]methyl N-[2-[2-[2-[2-[3-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

The canonical SMILES for [(4Z)-9-bicyclo[6.1.0]non-4-enyl]methyl N-[2-[2-[2-[2-[3-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is CC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)OCC1C2CC/C=C\CCC21)C(C)C.

What is the InChIKey of [(4Z)-9-bicyclo[6.1.0]non-4-enyl]methyl N-[2-[2-[2-[2-[3-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

The InChIKey is DLVWXDWCUDNRDA-AFOGQDHKSA-N. The full InChI is InChI=1S/C28H48N2O8/c1-21(2)27(22(3)31)30-26(32)10-12-34-14-16-36-18-19-37-17-15-35-13-11-29-28(33)38-20-25-23-8-6-4-5-7-9-24(23)25/h4-5,21,23-25,27H,6-20H2,1-3H3,(H,29,33)(H,30,32)/b5-4-/t23?,24?,25?,27-/m0/s1.

What are the key properties of [(4Z)-9-bicyclo[6.1.0]non-4-enyl]methyl N-[2-[2-[2-[2-[3-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

[(4Z)-9-bicyclo[6.1.0]non-4-enyl]methyl N-[2-[2-[2-[2-[3-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 540.70 g/mol, XLogP of 2.89, 20 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(4Z)-9-bicyclo[6.1.0]non-4-enyl]methyl N-[2-[2-[2-[2-[3-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 139308754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).