4-methylpentyl 2-[methoxycarbonyl(methyl)amino]acetate

C11H21NO4 — CID 91703029

IUPAC4-methylpentyl 2-[methoxycarbonyl(methyl)amino]acetate
SMILESCOC(=O)N(C)CC(=O)OCCCC(C)C
InChIInChI=1S/C11H21NO4/c1-9(2)6-5-7-16-10(13)8-12(3)11(14)15-4/h9H,5-8H2,1-4H3
InChIKeyZQJJJKGHHWXLOC-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.66
Rot. Bonds6

About 4-methylpentyl 2-[methoxycarbonyl(methyl)amino]acetate

4-methylpentyl 2-[methoxycarbonyl(methyl)amino]acetate (PubChem CID 91703029) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-methylpentyl 2-[methoxycarbonyl(methyl)amino]acetate.

Molecular Properties

Compound Name4-methylpentyl 2-[methoxycarbonyl(methyl)amino]acetate
PubChem CID91703029
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name4-methylpentyl 2-[methoxycarbonyl(methyl)amino]acetate
SMILESCOC(=O)N(C)CC(=O)OCCCC(C)C
InChIInChI=1S/C11H21NO4/c1-9(2)6-5-7-16-10(13)8-12(3)11(14)15-4/h9H,5-8H2,1-4H3
InChIKeyZQJJJKGHHWXLOC-UHFFFAOYSA-N
XLogP1.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.66
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

Glycine, N-methyl-N-methoxycarbonyl-, butyl ester
CID 91703027
Glycine, N-methyl-N-methoxycarbonyl-, pentyl ester
CID 91703028
Glycine, N-methyl-N-methoxycarbonyl-, hexyl ester
CID 91703030
Glycine, N-methyl-N-methoxycarbonyl-, isobutyl ester
CID 91703037
Glycine, N-methyl-N-ethoxycarbonyl-, isobutyl ester
CID 91709587
Glycine, N-methyl-N-ethoxycarbonyl-, butyl ester
CID 91709588
Glycine, N-methyl-N-ethoxycarbonyl-, pentyl ester
CID 91709589
Glycine, N-methyl-N-ethoxycarbonyl-, hexyl ester
CID 91709590
Glycine, N-methyl-N-ethoxycarbonyl-, isohexyl ester
CID 91709593
Sarcosylsarcosine, N-ethoxycarbonyl-, isohexyl ester
CID 91709610
Glycine, N-methyl-n-propoxycarbonyl-, isobutyl ester
CID 91714213
Glycine, N-methyl-n-propoxycarbonyl-, butyl ester
CID 91714214

Frequently Asked Questions

What is the IUPAC name of 4-methylpentyl 2-[methoxycarbonyl(methyl)amino]acetate?
The IUPAC name of 4-methylpentyl 2-[methoxycarbonyl(methyl)amino]acetate (CID 91703029) is 4-methylpentyl 2-[methoxycarbonyl(methyl)amino]acetate.
What is the SMILES notation for 4-methylpentyl 2-[methoxycarbonyl(methyl)amino]acetate?
The canonical SMILES for 4-methylpentyl 2-[methoxycarbonyl(methyl)amino]acetate is COC(=O)N(C)CC(=O)OCCCC(C)C.
What is the InChIKey of 4-methylpentyl 2-[methoxycarbonyl(methyl)amino]acetate?
The InChIKey is ZQJJJKGHHWXLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-9(2)6-5-7-16-10(13)8-12(3)11(14)15-4/h9H,5-8H2,1-4H3.
What are the key properties of 4-methylpentyl 2-[methoxycarbonyl(methyl)amino]acetate?
4-methylpentyl 2-[methoxycarbonyl(methyl)amino]acetate has a molecular weight of 231.29 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentyl 2-[methoxycarbonyl(methyl)amino]acetate is sourced from PubChem (CID 91703029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).