methyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate

C15H23NO3 — CID 94809325

IUPACmethyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)C[C@H]2C=CCC2)CCCCC1
InChIInChI=1S/C15H23NO3/c1-19-14(18)15(9-5-2-6-10-15)16-13(17)11-12-7-3-4-8-12/h3,7,12H,2,4-6,8-11H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyXYNFJVXXXVMYIB-LBPRGKRZSA-N
MW265.35 g/mol
LogP2.33
Rot. Bonds4

About methyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate

methyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate (PubChem CID 94809325) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate
PubChem CID94809325
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)C[C@H]2C=CCC2)CCCCC1
InChIInChI=1S/C15H23NO3/c1-19-14(18)15(9-5-2-6-10-15)16-13(17)11-12-7-3-4-8-12/h3,7,12H,2,4-6,8-11H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyXYNFJVXXXVMYIB-LBPRGKRZSA-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 methyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate (CID 94809325) is methyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate is COC(=O)C1(NC(=O)C[C@H]2C=CCC2)CCCCC1.
What is the InChIKey of methyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate?
The InChIKey is XYNFJVXXXVMYIB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23NO3/c1-19-14(18)15(9-5-2-6-10-15)16-13(17)11-12-7-3-4-8-12/h3,7,12H,2,4-6,8-11H2,1H3,(H,16,17)/t12-/m0/s1.
What are the key properties of methyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate?
methyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate 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 methyl 1-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 94809325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).