ethyl 1-[(1-ethoxycarbonylcyclopropyl)carbamoylamino]cyclopropane-1-carboxylate

C13H20N2O5 — CID 53399515

IUPACethyl 1-[(1-ethoxycarbonylcyclopropyl)carbamoylamino]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)NC2(C(=O)OCC)CC2)CC1
InChIInChI=1S/C13H20N2O5/c1-3-19-9(16)12(5-6-12)14-11(18)15-13(7-8-13)10(17)20-4-2/h3-8H2,1-2H3,(H2,14,15,18)
InChIKeyQXFUVGPEUVUGNS-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.48
Rot. Bonds6

About ethyl 1-[(1-ethoxycarbonylcyclopropyl)carbamoylamino]cyclopropane-1-carboxylate

ethyl 1-[(1-ethoxycarbonylcyclopropyl)carbamoylamino]cyclopropane-1-carboxylate (PubChem CID 53399515) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is ethyl 1-[(1-ethoxycarbonylcyclopropyl)carbamoylamino]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1-ethoxycarbonylcyclopropyl)carbamoylamino]cyclopropane-1-carboxylate
PubChem CID53399515
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Nameethyl 1-[(1-ethoxycarbonylcyclopropyl)carbamoylamino]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)NC2(C(=O)OCC)CC2)CC1
InChIInChI=1S/C13H20N2O5/c1-3-19-9(16)12(5-6-12)14-11(18)15-13(7-8-13)10(17)20-4-2/h3-8H2,1-2H3,(H2,14,15,18)
InChIKeyQXFUVGPEUVUGNS-UHFFFAOYSA-N
XLogP0.48
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1-ethoxycarbonylcyclopropyl)carbamoylamino]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[(1-ethoxycarbonylcyclopropyl)carbamoylamino]cyclopropane-1-carboxylate (CID 53399515) is ethyl 1-[(1-ethoxycarbonylcyclopropyl)carbamoylamino]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[(1-ethoxycarbonylcyclopropyl)carbamoylamino]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[(1-ethoxycarbonylcyclopropyl)carbamoylamino]cyclopropane-1-carboxylate is CCOC(=O)C1(NC(=O)NC2(C(=O)OCC)CC2)CC1.
What is the InChIKey of ethyl 1-[(1-ethoxycarbonylcyclopropyl)carbamoylamino]cyclopropane-1-carboxylate?
The InChIKey is QXFUVGPEUVUGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-3-19-9(16)12(5-6-12)14-11(18)15-13(7-8-13)10(17)20-4-2/h3-8H2,1-2H3,(H2,14,15,18).
What are the key properties of ethyl 1-[(1-ethoxycarbonylcyclopropyl)carbamoylamino]cyclopropane-1-carboxylate?
ethyl 1-[(1-ethoxycarbonylcyclopropyl)carbamoylamino]cyclopropane-1-carboxylate has a molecular weight of 284.31 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1-ethoxycarbonylcyclopropyl)carbamoylamino]cyclopropane-1-carboxylate is sourced from PubChem (CID 53399515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).