ethyl 3-[cyclooctanecarbonyl(methyl)amino]propanoate

C15H27NO3 — CID 65023078

IUPACethyl 3-[cyclooctanecarbonyl(methyl)amino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)C1CCCCCCC1
InChIInChI=1S/C15H27NO3/c1-3-19-14(17)11-12-16(2)15(18)13-9-7-5-4-6-8-10-13/h13H,3-12H2,1-2H3
InChIKeyXRGZQDYHHQQTMC-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.76
Rot. Bonds5

About ethyl 3-[cyclooctanecarbonyl(methyl)amino]propanoate

ethyl 3-[cyclooctanecarbonyl(methyl)amino]propanoate (PubChem CID 65023078) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is ethyl 3-[cyclooctanecarbonyl(methyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[cyclooctanecarbonyl(methyl)amino]propanoate
PubChem CID65023078
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nameethyl 3-[cyclooctanecarbonyl(methyl)amino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)C1CCCCCCC1
InChIInChI=1S/C15H27NO3/c1-3-19-14(17)11-12-16(2)15(18)13-9-7-5-4-6-8-10-13/h13H,3-12H2,1-2H3
InChIKeyXRGZQDYHHQQTMC-UHFFFAOYSA-N
XLogP2.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]propanoate
CID 79209644
cis-(1S,2R)-2-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092193
(2R,5S)-5-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945135
N-(2-aminoethyl)-N-methylcyclooctanecarboxamide
CID 65019367
ethyl 3-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]propanoate
CID 106703666
N-(3-aminopropyl)-N-methylcyclooctanecarboxamide
CID 65019001
N-[2-(dimethylamino)ethyl]-N-methylcyclohexanecarboxamide
CID 110482195
ethyl 8-cyclohexyl-8-oxooctanoate
CID 24727431
N-(4-aminobutyl)-N-methylcyclohexanecarboxamide
CID 67635638
N-[3-(dimethylamino)propyl]-N-methylcyclohexanecarboxamide
CID 143018860
ethyl (2R)-2-[cyclohexanecarbonyl(methyl)amino]propanoate
CID 69164951
N-(3-bromopropyl)-N-methylcyclooctanecarboxamide
CID 106441097

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[cyclooctanecarbonyl(methyl)amino]propanoate?
The IUPAC name of ethyl 3-[cyclooctanecarbonyl(methyl)amino]propanoate (CID 65023078) is ethyl 3-[cyclooctanecarbonyl(methyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[cyclooctanecarbonyl(methyl)amino]propanoate?
The canonical SMILES for ethyl 3-[cyclooctanecarbonyl(methyl)amino]propanoate is CCOC(=O)CCN(C)C(=O)C1CCCCCCC1.
What is the InChIKey of ethyl 3-[cyclooctanecarbonyl(methyl)amino]propanoate?
The InChIKey is XRGZQDYHHQQTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-19-14(17)11-12-16(2)15(18)13-9-7-5-4-6-8-10-13/h13H,3-12H2,1-2H3.
What are the key properties of ethyl 3-[cyclooctanecarbonyl(methyl)amino]propanoate?
ethyl 3-[cyclooctanecarbonyl(methyl)amino]propanoate has a molecular weight of 269.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[cyclooctanecarbonyl(methyl)amino]propanoate is sourced from PubChem (CID 65023078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).