octyl 2-[cyclopentanecarbonyl(methyl)amino]acetate

C17H31NO3 — CID 91692144

IUPACoctyl 2-[cyclopentanecarbonyl(methyl)amino]acetate
SMILESCCCCCCCCOC(=O)CN(C)C(=O)C1CCCC1
InChIInChI=1S/C17H31NO3/c1-3-4-5-6-7-10-13-21-16(19)14-18(2)17(20)15-11-8-9-12-15/h15H,3-14H2,1-2H3
InChIKeyQKLGLEYACVDFRN-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.54
Rot. Bonds10

About octyl 2-[cyclopentanecarbonyl(methyl)amino]acetate

octyl 2-[cyclopentanecarbonyl(methyl)amino]acetate (PubChem CID 91692144) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is octyl 2-[cyclopentanecarbonyl(methyl)amino]acetate.

Molecular Properties

Compound Nameoctyl 2-[cyclopentanecarbonyl(methyl)amino]acetate
PubChem CID91692144
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Nameoctyl 2-[cyclopentanecarbonyl(methyl)amino]acetate
SMILESCCCCCCCCOC(=O)CN(C)C(=O)C1CCCC1
InChIInChI=1S/C17H31NO3/c1-3-4-5-6-7-10-13-21-16(19)14-18(2)17(20)15-11-8-9-12-15/h15H,3-14H2,1-2H3
InChIKeyQKLGLEYACVDFRN-UHFFFAOYSA-N
XLogP3.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

heptyl 2-[cyclopropanecarbonyl(methyl)amino]acetate
CID 91704966
propyl 2-[cyclopentanecarbonyl(methyl)amino]acetate
CID 91692141
nonyl cyclopentanecarboxylate
CID 575427
octadecyl 2-[methoxycarbonyl(methyl)amino]acetate
CID 91703023
octadecyl 2-[methyl(tetradecanoyl)amino]acetate
CID 141251537
pentadecyl 2-[hexanoyl(methyl)amino]acetate
CID 91692238
octyl 2-[ethoxycarbonyl(methyl)amino]acetate
CID 91709596
hexyl 4-(dicyclohexylamino)-4-oxobutanoate
CID 91701072
heptyl 2-(4-cyclohexylcyclohexyl)acetate
CID 140795418
dodecyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
CID 6421879
pentadecyl 3-(cyclohexanecarbonylamino)propanoate
CID 91741547
lithium;hydride;pentyl cyclohexanecarboxylate
CID 173095553

Frequently Asked Questions

What is the IUPAC name of octyl 2-[cyclopentanecarbonyl(methyl)amino]acetate?
The IUPAC name of octyl 2-[cyclopentanecarbonyl(methyl)amino]acetate (CID 91692144) is octyl 2-[cyclopentanecarbonyl(methyl)amino]acetate.
What is the SMILES notation for octyl 2-[cyclopentanecarbonyl(methyl)amino]acetate?
The canonical SMILES for octyl 2-[cyclopentanecarbonyl(methyl)amino]acetate is CCCCCCCCOC(=O)CN(C)C(=O)C1CCCC1.
What is the InChIKey of octyl 2-[cyclopentanecarbonyl(methyl)amino]acetate?
The InChIKey is QKLGLEYACVDFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-3-4-5-6-7-10-13-21-16(19)14-18(2)17(20)15-11-8-9-12-15/h15H,3-14H2,1-2H3.
What are the key properties of octyl 2-[cyclopentanecarbonyl(methyl)amino]acetate?
octyl 2-[cyclopentanecarbonyl(methyl)amino]acetate has a molecular weight of 297.44 g/mol, XLogP of 3.54, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 2-[cyclopentanecarbonyl(methyl)amino]acetate is sourced from PubChem (CID 91692144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).