pentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate

C13H25NO5 — CID 91723541

IUPACpentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate
SMILESCCCCCOC(=O)CN(CC)C(=O)OCCOC
InChIInChI=1S/C13H25NO5/c1-4-6-7-8-18-12(15)11-14(5-2)13(16)19-10-9-17-3/h4-11H2,1-3H3
InChIKeyASKHPQOGOAOMOD-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.82
Rot. Bonds10

About pentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate

pentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate (PubChem CID 91723541) has the molecular formula C13H25NO5 and a molecular weight of 275.34 g/mol. Its IUPAC name is pentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate.

Molecular Properties

Compound Namepentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate
PubChem CID91723541
Molecular FormulaC13H25NO5
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Namepentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate
SMILESCCCCCOC(=O)CN(CC)C(=O)OCCOC
InChIInChI=1S/C13H25NO5/c1-4-6-7-8-18-12(15)11-14(5-2)13(16)19-10-9-17-3/h4-11H2,1-3H3
InChIKeyASKHPQOGOAOMOD-UHFFFAOYSA-N
XLogP1.82
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.82
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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Related Compounds

octadecyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate
CID 91723550
octyl 2-[ethyl-[2-[ethyl(2-methoxyethoxycarbonyl)amino]acetyl]amino]acetate
CID 91723566
heptadecyl 2-[butoxycarbonyl(ethyl)amino]acetate
CID 91723067
dodecyl 2-[ethyl(propoxycarbonyl)amino]acetate
CID 91718812
4-methylpentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate
CID 91723542
butyl 2-[ethoxycarbonyl(ethyl)amino]acetate
CID 91714262
undecyl 2-[ethyl(2-methylpropoxycarbonyl)amino]acetate
CID 91722849
heptadecyl 2-[ethyl(prop-2-ynoxycarbonyl)amino]acetate
CID 91716860
heptyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
CID 91719245
hexyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
CID 91719271
4-O-(2-methoxyethyl) 1-O-tetradecyl butanedioate
CID 91694095
5-O-(2-methoxyethyl) 1-O-tetradecyl pentanedioate
CID 91706373

Frequently Asked Questions

What is the IUPAC name of pentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate?
The IUPAC name of pentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate (CID 91723541) is pentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate.
What is the SMILES notation for pentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate?
The canonical SMILES for pentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate is CCCCCOC(=O)CN(CC)C(=O)OCCOC.
What is the InChIKey of pentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate?
The InChIKey is ASKHPQOGOAOMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5/c1-4-6-7-8-18-12(15)11-14(5-2)13(16)19-10-9-17-3/h4-11H2,1-3H3.
What are the key properties of pentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate?
pentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate has a molecular weight of 275.34 g/mol, XLogP of 1.82, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate is sourced from PubChem (CID 91723541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).