cyclopent-3-en-1-yl (2R)-2-(cyclohexanecarbonylamino)propanoate

C15H23NO3 — CID 171351502

IUPACcyclopent-3-en-1-yl (2R)-2-(cyclohexanecarbonylamino)propanoate
SMILESC[C@@H](NC(=O)C1CCCCC1)C(=O)OC1CC=CC1
InChIInChI=1S/C15H23NO3/c1-11(15(18)19-13-9-5-6-10-13)16-14(17)12-7-3-2-4-8-12/h5-6,11-13H,2-4,7-10H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyWSRXEGAOHLNNET-LLVKDONJSA-N
MW265.35 g/mol
LogP2.33
Rot. Bonds4

About cyclopent-3-en-1-yl (2R)-2-(cyclohexanecarbonylamino)propanoate

cyclopent-3-en-1-yl (2R)-2-(cyclohexanecarbonylamino)propanoate (PubChem CID 171351502) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is cyclopent-3-en-1-yl (2R)-2-(cyclohexanecarbonylamino)propanoate.

Molecular Properties

Compound Namecyclopent-3-en-1-yl (2R)-2-(cyclohexanecarbonylamino)propanoate
PubChem CID171351502
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namecyclopent-3-en-1-yl (2R)-2-(cyclohexanecarbonylamino)propanoate
SMILESC[C@@H](NC(=O)C1CCCCC1)C(=O)OC1CC=CC1
InChIInChI=1S/C15H23NO3/c1-11(15(18)19-13-9-5-6-10-13)16-14(17)12-7-3-2-4-8-12/h5-6,11-13H,2-4,7-10H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyWSRXEGAOHLNNET-LLVKDONJSA-N
XLogP2.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.33
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 cyclopent-3-en-1-yl (2R)-2-(cyclohexanecarbonylamino)propanoate?
The IUPAC name of cyclopent-3-en-1-yl (2R)-2-(cyclohexanecarbonylamino)propanoate (CID 171351502) is cyclopent-3-en-1-yl (2R)-2-(cyclohexanecarbonylamino)propanoate.
What is the SMILES notation for cyclopent-3-en-1-yl (2R)-2-(cyclohexanecarbonylamino)propanoate?
The canonical SMILES for cyclopent-3-en-1-yl (2R)-2-(cyclohexanecarbonylamino)propanoate is C[C@@H](NC(=O)C1CCCCC1)C(=O)OC1CC=CC1.
What is the InChIKey of cyclopent-3-en-1-yl (2R)-2-(cyclohexanecarbonylamino)propanoate?
The InChIKey is WSRXEGAOHLNNET-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(15(18)19-13-9-5-6-10-13)16-14(17)12-7-3-2-4-8-12/h5-6,11-13H,2-4,7-10H2,1H3,(H,16,17)/t11-/m1/s1.
What are the key properties of cyclopent-3-en-1-yl (2R)-2-(cyclohexanecarbonylamino)propanoate?
cyclopent-3-en-1-yl (2R)-2-(cyclohexanecarbonylamino)propanoate has a molecular weight of 265.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl (2R)-2-(cyclohexanecarbonylamino)propanoate is sourced from PubChem (CID 171351502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).