ethyl 2-[[2-(2-oxoimidazolidin-1-yl)ethyl-(5-oxooxolane-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate

C17H25N3O6 — CID 4124077

IUPACethyl 2-[[2-(2-oxoimidazolidin-1-yl)ethyl-(5-oxooxolane-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1CN(CCN1CCNC1=O)C(=O)C1CCC(=O)O1
InChIInChI=1S/C17H25N3O6/c1-2-25-16(23)12-9-11(12)10-20(8-7-19-6-5-18-17(19)24)15(22)13-3-4-14(21)26-13/h11-13H,2-10H2,1H3,(H,18,24)
InChIKeyYVUKDDGGVAYXCU-UHFFFAOYSA-N
MW367.40 g/mol
LogP-0.25
Rot. Bonds8

About ethyl 2-[[2-(2-oxoimidazolidin-1-yl)ethyl-(5-oxooxolane-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate

ethyl 2-[[2-(2-oxoimidazolidin-1-yl)ethyl-(5-oxooxolane-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate (PubChem CID 4124077) has the molecular formula C17H25N3O6 and a molecular weight of 367.40 g/mol. Its IUPAC name is ethyl 2-[[2-(2-oxoimidazolidin-1-yl)ethyl-(5-oxooxolane-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-oxoimidazolidin-1-yl)ethyl-(5-oxooxolane-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate
PubChem CID4124077
Molecular FormulaC17H25N3O6
Molecular Weight367.40 g/mol
Exact Mass367.17
IUPAC Nameethyl 2-[[2-(2-oxoimidazolidin-1-yl)ethyl-(5-oxooxolane-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1CN(CCN1CCNC1=O)C(=O)C1CCC(=O)O1
InChIInChI=1S/C17H25N3O6/c1-2-25-16(23)12-9-11(12)10-20(8-7-19-6-5-18-17(19)24)15(22)13-3-4-14(21)26-13/h11-13H,2-10H2,1H3,(H,18,24)
InChIKeyYVUKDDGGVAYXCU-UHFFFAOYSA-N
XLogP-0.25
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-oxoimidazolidin-1-yl)ethyl-(5-oxooxolane-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[[2-(2-oxoimidazolidin-1-yl)ethyl-(5-oxooxolane-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate (CID 4124077) is ethyl 2-[[2-(2-oxoimidazolidin-1-yl)ethyl-(5-oxooxolane-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(2-oxoimidazolidin-1-yl)ethyl-(5-oxooxolane-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[[2-(2-oxoimidazolidin-1-yl)ethyl-(5-oxooxolane-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate is CCOC(=O)C1CC1CN(CCN1CCNC1=O)C(=O)C1CCC(=O)O1.
What is the InChIKey of ethyl 2-[[2-(2-oxoimidazolidin-1-yl)ethyl-(5-oxooxolane-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate?
The InChIKey is YVUKDDGGVAYXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O6/c1-2-25-16(23)12-9-11(12)10-20(8-7-19-6-5-18-17(19)24)15(22)13-3-4-14(21)26-13/h11-13H,2-10H2,1H3,(H,18,24).
What are the key properties of ethyl 2-[[2-(2-oxoimidazolidin-1-yl)ethyl-(5-oxooxolane-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate?
ethyl 2-[[2-(2-oxoimidazolidin-1-yl)ethyl-(5-oxooxolane-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate has a molecular weight of 367.40 g/mol, XLogP of -0.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-oxoimidazolidin-1-yl)ethyl-(5-oxooxolane-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 4124077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).