hexyl 2-[methoxycarbonyl(methyl)amino]acetate

C11H21NO4 — CID 91703030

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

About hexyl 2-[methoxycarbonyl(methyl)amino]acetate

hexyl 2-[methoxycarbonyl(methyl)amino]acetate (PubChem CID 91703030) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is hexyl 2-[methoxycarbonyl(methyl)amino]acetate.

Molecular Properties

Compound Namehexyl 2-[methoxycarbonyl(methyl)amino]acetate
PubChem CID91703030
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namehexyl 2-[methoxycarbonyl(methyl)amino]acetate
SMILESCCCCCCOC(=O)CN(C)C(=O)OC
InChIInChI=1S/C11H21NO4/c1-4-5-6-7-8-16-10(13)9-12(2)11(14)15-3/h4-9H2,1-3H3
InChIKeyGUEGGFWJKJVJHL-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'}

Analyze hexyl 2-[methoxycarbonyl(methyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Hexyl 2-(diethylamino)-2-oxoacetate
CID 3042716
Decyl 2-dimethylaminoacetate
CID 180016
N-Acetyl-N-(2-butoxy-2-oxoethyl)glycine butyl ester
CID 90476080
Heptyl diethylaminoacetate
CID 129820516
Heptyl dimethylaminoacetate
CID 129820539
Alanine, N-methyl-N-methoxycarbonyl-, undecyl ester
CID 91709718
Glycine, N-methyl-N-methoxycarbonyl-, undecyl ester
CID 91703018
Glycine, N-methyl-N-methoxycarbonyl-, pentadecyl ester
CID 91703019
Glycine, N-methyl-N-methoxycarbonyl-, tetradecyl ester
CID 91703020
Glycine, N-methyl-N-methoxycarbonyl-, hexadecyl ester
CID 91703021
Glycine, N-methyl-N-methoxycarbonyl-, heptadecyl ester
CID 91703022
Glycine, N-methyl-N-methoxycarbonyl-, octadecyl ester
CID 91703023

Frequently Asked Questions

What is the IUPAC name of hexyl 2-[methoxycarbonyl(methyl)amino]acetate?
The IUPAC name of hexyl 2-[methoxycarbonyl(methyl)amino]acetate (CID 91703030) is hexyl 2-[methoxycarbonyl(methyl)amino]acetate.
What is the SMILES notation for hexyl 2-[methoxycarbonyl(methyl)amino]acetate?
The canonical SMILES for hexyl 2-[methoxycarbonyl(methyl)amino]acetate is CCCCCCOC(=O)CN(C)C(=O)OC.
What is the InChIKey of hexyl 2-[methoxycarbonyl(methyl)amino]acetate?
The InChIKey is GUEGGFWJKJVJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-5-6-7-8-16-10(13)9-12(2)11(14)15-3/h4-9H2,1-3H3.
What are the key properties of hexyl 2-[methoxycarbonyl(methyl)amino]acetate?
hexyl 2-[methoxycarbonyl(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 hexyl 2-[methoxycarbonyl(methyl)amino]acetate is sourced from PubChem (CID 91703030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).