ethyl 2-[2-(ethoxycarbonylamino)pentylamino]acetate

C12H24N2O4 — CID 166591582

IUPACethyl 2-[2-(ethoxycarbonylamino)pentylamino]acetate
SMILESCCCC(CNCC(=O)OCC)NC(=O)OCC
InChIInChI=1S/C12H24N2O4/c1-4-7-10(14-12(16)18-6-3)8-13-9-11(15)17-5-2/h10,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyYALQJXHCWPDVGV-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.05
Rot. Bonds9

About ethyl 2-[2-(ethoxycarbonylamino)pentylamino]acetate

ethyl 2-[2-(ethoxycarbonylamino)pentylamino]acetate (PubChem CID 166591582) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is ethyl 2-[2-(ethoxycarbonylamino)pentylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(ethoxycarbonylamino)pentylamino]acetate
PubChem CID166591582
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Nameethyl 2-[2-(ethoxycarbonylamino)pentylamino]acetate
SMILESCCCC(CNCC(=O)OCC)NC(=O)OCC
InChIInChI=1S/C12H24N2O4/c1-4-7-10(14-12(16)18-6-3)8-13-9-11(15)17-5-2/h10,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyYALQJXHCWPDVGV-UHFFFAOYSA-N
XLogP1.05
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(ethoxycarbonylamino)pentylamino]acetate?
The IUPAC name of ethyl 2-[2-(ethoxycarbonylamino)pentylamino]acetate (CID 166591582) is ethyl 2-[2-(ethoxycarbonylamino)pentylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(ethoxycarbonylamino)pentylamino]acetate?
The canonical SMILES for ethyl 2-[2-(ethoxycarbonylamino)pentylamino]acetate is CCCC(CNCC(=O)OCC)NC(=O)OCC.
What is the InChIKey of ethyl 2-[2-(ethoxycarbonylamino)pentylamino]acetate?
The InChIKey is YALQJXHCWPDVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-4-7-10(14-12(16)18-6-3)8-13-9-11(15)17-5-2/h10,13H,4-9H2,1-3H3,(H,14,16).
What are the key properties of ethyl 2-[2-(ethoxycarbonylamino)pentylamino]acetate?
ethyl 2-[2-(ethoxycarbonylamino)pentylamino]acetate has a molecular weight of 260.33 g/mol, XLogP of 1.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(ethoxycarbonylamino)pentylamino]acetate is sourced from PubChem (CID 166591582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).