ethyl 1-[2-(ethoxycarbonylamino)ethyl]cyclopropane-1-carboxylate

C11H19NO4 — CID 14585546

IUPACethyl 1-[2-(ethoxycarbonylamino)ethyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)NCCC1(C(=O)OCC)CC1
InChIInChI=1S/C11H19NO4/c1-3-15-9(13)11(5-6-11)7-8-12-10(14)16-4-2/h3-8H2,1-2H3,(H,12,14)
InChIKeyDPWUNWNPYOMXMN-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.47
Rot. Bonds6

About ethyl 1-[2-(ethoxycarbonylamino)ethyl]cyclopropane-1-carboxylate

ethyl 1-[2-(ethoxycarbonylamino)ethyl]cyclopropane-1-carboxylate (PubChem CID 14585546) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 1-[2-(ethoxycarbonylamino)ethyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(ethoxycarbonylamino)ethyl]cyclopropane-1-carboxylate
PubChem CID14585546
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nameethyl 1-[2-(ethoxycarbonylamino)ethyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)NCCC1(C(=O)OCC)CC1
InChIInChI=1S/C11H19NO4/c1-3-15-9(13)11(5-6-11)7-8-12-10(14)16-4-2/h3-8H2,1-2H3,(H,12,14)
InChIKeyDPWUNWNPYOMXMN-UHFFFAOYSA-N
XLogP1.47
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(ethoxycarbonylamino)ethyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[2-(ethoxycarbonylamino)ethyl]cyclopropane-1-carboxylate (CID 14585546) is ethyl 1-[2-(ethoxycarbonylamino)ethyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[2-(ethoxycarbonylamino)ethyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[2-(ethoxycarbonylamino)ethyl]cyclopropane-1-carboxylate is CCOC(=O)NCCC1(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-[2-(ethoxycarbonylamino)ethyl]cyclopropane-1-carboxylate?
The InChIKey is DPWUNWNPYOMXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-15-9(13)11(5-6-11)7-8-12-10(14)16-4-2/h3-8H2,1-2H3,(H,12,14).
What are the key properties of ethyl 1-[2-(ethoxycarbonylamino)ethyl]cyclopropane-1-carboxylate?
ethyl 1-[2-(ethoxycarbonylamino)ethyl]cyclopropane-1-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(ethoxycarbonylamino)ethyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 14585546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).