ethyl 3-(cyclohexanecarbonylamino)-2-oxopentanoate

C14H23NO4 — CID 142830313

IUPACethyl 3-(cyclohexanecarbonylamino)-2-oxopentanoate
SMILESCCOC(=O)C(=O)C(CC)NC(=O)C1CCCCC1
InChIInChI=1S/C14H23NO4/c1-3-11(12(16)14(18)19-4-2)15-13(17)10-8-6-5-7-9-10/h10-11H,3-9H2,1-2H3,(H,15,17)
InChIKeyHJSCRTQVKBKSLO-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.59
Rot. Bonds6

About ethyl 3-(cyclohexanecarbonylamino)-2-oxopentanoate

ethyl 3-(cyclohexanecarbonylamino)-2-oxopentanoate (PubChem CID 142830313) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl 3-(cyclohexanecarbonylamino)-2-oxopentanoate.

Molecular Properties

Compound Nameethyl 3-(cyclohexanecarbonylamino)-2-oxopentanoate
PubChem CID142830313
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Nameethyl 3-(cyclohexanecarbonylamino)-2-oxopentanoate
SMILESCCOC(=O)C(=O)C(CC)NC(=O)C1CCCCC1
InChIInChI=1S/C14H23NO4/c1-3-11(12(16)14(18)19-4-2)15-13(17)10-8-6-5-7-9-10/h10-11H,3-9H2,1-2H3,(H,15,17)
InChIKeyHJSCRTQVKBKSLO-UHFFFAOYSA-N
XLogP1.59
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclohexanecarbonylamino)-2-oxopentanoate?
The IUPAC name of ethyl 3-(cyclohexanecarbonylamino)-2-oxopentanoate (CID 142830313) is ethyl 3-(cyclohexanecarbonylamino)-2-oxopentanoate.
What is the SMILES notation for ethyl 3-(cyclohexanecarbonylamino)-2-oxopentanoate?
The canonical SMILES for ethyl 3-(cyclohexanecarbonylamino)-2-oxopentanoate is CCOC(=O)C(=O)C(CC)NC(=O)C1CCCCC1.
What is the InChIKey of ethyl 3-(cyclohexanecarbonylamino)-2-oxopentanoate?
The InChIKey is HJSCRTQVKBKSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-3-11(12(16)14(18)19-4-2)15-13(17)10-8-6-5-7-9-10/h10-11H,3-9H2,1-2H3,(H,15,17).
What are the key properties of ethyl 3-(cyclohexanecarbonylamino)-2-oxopentanoate?
ethyl 3-(cyclohexanecarbonylamino)-2-oxopentanoate has a molecular weight of 269.34 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclohexanecarbonylamino)-2-oxopentanoate is sourced from PubChem (CID 142830313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).