pentyl 2-[ethoxycarbonyl(methyl)amino]acetate

C11H21NO4 — CID 91709589

IUPACpentyl 2-[ethoxycarbonyl(methyl)amino]acetate
SMILESCCCCCOC(=O)CN(C)C(=O)OCC
InChIInChI=1S/C11H21NO4/c1-4-6-7-8-16-10(13)9-12(3)11(14)15-5-2/h4-9H2,1-3H3
InChIKeyQLGSBVZXBUXOOY-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.81
Rot. Bonds7

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

pentyl 2-[ethoxycarbonyl(methyl)amino]acetate (PubChem CID 91709589) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is pentyl 2-[ethoxycarbonyl(methyl)amino]acetate.

Molecular Properties

Compound Namepentyl 2-[ethoxycarbonyl(methyl)amino]acetate
PubChem CID91709589
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namepentyl 2-[ethoxycarbonyl(methyl)amino]acetate
SMILESCCCCCOC(=O)CN(C)C(=O)OCC
InChIInChI=1S/C11H21NO4/c1-4-6-7-8-16-10(13)9-12(3)11(14)15-5-2/h4-9H2,1-3H3
InChIKeyQLGSBVZXBUXOOY-UHFFFAOYSA-N
XLogP1.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl n-(ethoxycarbonyl)-n-methylglycinate
CID 265106
N-Acetyl-N-(2-butoxy-2-oxoethyl)glycine butyl ester
CID 90476080
Glycine, N-methyl-N-methoxycarbonyl-, undecyl ester
CID 91703018
Glycine, N-methyl-N-methoxycarbonyl-, butyl ester
CID 91703027
Glycine, N-methyl-N-methoxycarbonyl-, pentyl ester
CID 91703028
Glycine, N-methyl-N-methoxycarbonyl-, isohexyl ester
CID 91703029
Glycine, N-methyl-N-methoxycarbonyl-, hexyl ester
CID 91703030
Glycine, N-methyl-N-methoxycarbonyl-, heptyl ester
CID 91703031
Glycine, N-methyl-N-methoxycarbonyl-, octyl ester
CID 91703032
Glycine, N-methyl-N-methoxycarbonyl-, nonyl ester
CID 91703033
Glycine, N-methyl-N-methoxycarbonyl-, decyl ester
CID 91703034
Glycine, N-methyl-N-methoxycarbonyl-, isobutyl ester
CID 91703037

Frequently Asked Questions

What is the IUPAC name of pentyl 2-[ethoxycarbonyl(methyl)amino]acetate?
The IUPAC name of pentyl 2-[ethoxycarbonyl(methyl)amino]acetate (CID 91709589) is pentyl 2-[ethoxycarbonyl(methyl)amino]acetate.
What is the SMILES notation for pentyl 2-[ethoxycarbonyl(methyl)amino]acetate?
The canonical SMILES for pentyl 2-[ethoxycarbonyl(methyl)amino]acetate is CCCCCOC(=O)CN(C)C(=O)OCC.
What is the InChIKey of pentyl 2-[ethoxycarbonyl(methyl)amino]acetate?
The InChIKey is QLGSBVZXBUXOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-6-7-8-16-10(13)9-12(3)11(14)15-5-2/h4-9H2,1-3H3.
What are the key properties of pentyl 2-[ethoxycarbonyl(methyl)amino]acetate?
pentyl 2-[ethoxycarbonyl(methyl)amino]acetate has a molecular weight of 231.29 g/mol, XLogP of 1.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-[ethoxycarbonyl(methyl)amino]acetate is sourced from PubChem (CID 91709589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).