pentyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate

C14H26N2O5 — CID 91709609

IUPACpentyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
SMILESCCCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCC
InChIInChI=1S/C14H26N2O5/c1-5-7-8-9-21-13(18)11-15(3)12(17)10-16(4)14(19)20-6-2/h5-11H2,1-4H3
InChIKeyIZMYPFYCSLGMLP-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.27
Rot. Bonds9

About pentyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate

pentyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate (PubChem CID 91709609) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is pentyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate.

Molecular Properties

Compound Namepentyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
PubChem CID91709609
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Namepentyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
SMILESCCCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCC
InChIInChI=1S/C14H26N2O5/c1-5-7-8-9-21-13(18)11-15(3)12(17)10-16(4)14(19)20-6-2/h5-11H2,1-4H3
InChIKeyIZMYPFYCSLGMLP-UHFFFAOYSA-N
XLogP1.27
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate?
The IUPAC name of pentyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate (CID 91709609) is pentyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate.
What is the SMILES notation for pentyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate?
The canonical SMILES for pentyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate is CCCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCC.
What is the InChIKey of pentyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate?
The InChIKey is IZMYPFYCSLGMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-5-7-8-9-21-13(18)11-15(3)12(17)10-16(4)14(19)20-6-2/h5-11H2,1-4H3.
What are the key properties of pentyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate?
pentyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate has a molecular weight of 302.37 g/mol, XLogP of 1.27, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate is sourced from PubChem (CID 91709609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).