ethyl (E)-4-(4-oxopentanoylamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate

C16H24N2O5 — CID 20769088

IUPACethyl (E)-4-(4-oxopentanoylamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
SMILESCCOC(=O)/C=C/C(CC1CCNC1=O)NC(=O)CCC(C)=O
InChIInChI=1S/C16H24N2O5/c1-3-23-15(21)7-5-13(10-12-8-9-17-16(12)22)18-14(20)6-4-11(2)19/h5,7,12-13H,3-4,6,8-10H2,1-2H3,(H,17,22)(H,18,20)/b7-5+
InChIKeyZEAADYHBQLHQNX-FNORWQNLSA-N
MW324.38 g/mol
LogP0.49
Rot. Bonds9

About ethyl (E)-4-(4-oxopentanoylamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate

ethyl (E)-4-(4-oxopentanoylamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate (PubChem CID 20769088) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is ethyl (E)-4-(4-oxopentanoylamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-(4-oxopentanoylamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
PubChem CID20769088
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Nameethyl (E)-4-(4-oxopentanoylamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
SMILESCCOC(=O)/C=C/C(CC1CCNC1=O)NC(=O)CCC(C)=O
InChIInChI=1S/C16H24N2O5/c1-3-23-15(21)7-5-13(10-12-8-9-17-16(12)22)18-14(20)6-4-11(2)19/h5,7,12-13H,3-4,6,8-10H2,1-2H3,(H,17,22)(H,18,20)/b7-5+
InChIKeyZEAADYHBQLHQNX-FNORWQNLSA-N
XLogP0.49
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-(4-oxopentanoylamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate?
The IUPAC name of ethyl (E)-4-(4-oxopentanoylamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate (CID 20769088) is ethyl (E)-4-(4-oxopentanoylamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate.
What is the SMILES notation for ethyl (E)-4-(4-oxopentanoylamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate?
The canonical SMILES for ethyl (E)-4-(4-oxopentanoylamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate is CCOC(=O)/C=C/C(CC1CCNC1=O)NC(=O)CCC(C)=O.
What is the InChIKey of ethyl (E)-4-(4-oxopentanoylamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate?
The InChIKey is ZEAADYHBQLHQNX-FNORWQNLSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-3-23-15(21)7-5-13(10-12-8-9-17-16(12)22)18-14(20)6-4-11(2)19/h5,7,12-13H,3-4,6,8-10H2,1-2H3,(H,17,22)(H,18,20)/b7-5+.
What are the key properties of ethyl (E)-4-(4-oxopentanoylamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate?
ethyl (E)-4-(4-oxopentanoylamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate has a molecular weight of 324.38 g/mol, XLogP of 0.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-(4-oxopentanoylamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate is sourced from PubChem (CID 20769088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).