[(4Z)-cyclooct-4-en-1-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate

C18H29NO3 — CID 171356963

IUPAC[(4Z)-cyclooct-4-en-1-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate
SMILESC[C@@H](NC(=O)C1CCCCC1)C(=O)OC1CC/C=C\CCC1
InChIInChI=1S/C18H29NO3/c1-14(19-17(20)15-10-6-5-7-11-15)18(21)22-16-12-8-3-2-4-9-13-16/h2-3,14-16H,4-13H2,1H3,(H,19,20)/b3-2-/t14-,16?/m1/s1
InChIKeyZWSWDAWOTQPSLF-AJSCDMQXSA-N
MW307.43 g/mol
LogP3.50
Rot. Bonds4

About [(4Z)-cyclooct-4-en-1-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate

[(4Z)-cyclooct-4-en-1-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate (PubChem CID 171356963) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is [(4Z)-cyclooct-4-en-1-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate.

Molecular Properties

Compound Name[(4Z)-cyclooct-4-en-1-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate
PubChem CID171356963
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name[(4Z)-cyclooct-4-en-1-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate
SMILESC[C@@H](NC(=O)C1CCCCC1)C(=O)OC1CC/C=C\CCC1
InChIInChI=1S/C18H29NO3/c1-14(19-17(20)15-10-6-5-7-11-15)18(21)22-16-12-8-3-2-4-9-13-16/h2-3,14-16H,4-13H2,1H3,(H,19,20)/b3-2-/t14-,16?/m1/s1
InChIKeyZWSWDAWOTQPSLF-AJSCDMQXSA-N
XLogP3.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4Z)-cyclooct-4-en-1-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate?
The IUPAC name of [(4Z)-cyclooct-4-en-1-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate (CID 171356963) is [(4Z)-cyclooct-4-en-1-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate.
What is the SMILES notation for [(4Z)-cyclooct-4-en-1-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate?
The canonical SMILES for [(4Z)-cyclooct-4-en-1-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate is C[C@@H](NC(=O)C1CCCCC1)C(=O)OC1CC/C=C\CCC1.
What is the InChIKey of [(4Z)-cyclooct-4-en-1-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate?
The InChIKey is ZWSWDAWOTQPSLF-AJSCDMQXSA-N. The full InChI is InChI=1S/C18H29NO3/c1-14(19-17(20)15-10-6-5-7-11-15)18(21)22-16-12-8-3-2-4-9-13-16/h2-3,14-16H,4-13H2,1H3,(H,19,20)/b3-2-/t14-,16?/m1/s1.
What are the key properties of [(4Z)-cyclooct-4-en-1-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate?
[(4Z)-cyclooct-4-en-1-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate has a molecular weight of 307.43 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-cyclooct-4-en-1-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate is sourced from PubChem (CID 171356963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).