ethyl 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)acetate

C14H24N2O3 — CID 43404889

IUPACethyl 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)acetate
SMILESCCOC(=O)CNC(=O)N1CCCC2CCCCC21
InChIInChI=1S/C14H24N2O3/c1-2-19-13(17)10-15-14(18)16-9-5-7-11-6-3-4-8-12(11)16/h11-12H,2-10H2,1H3,(H,15,18)
InChIKeyYUNCWVGWPUOVPS-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.91
Rot. Bonds3

About ethyl 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)acetate

ethyl 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)acetate (PubChem CID 43404889) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is ethyl 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)acetate
PubChem CID43404889
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nameethyl 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)acetate
SMILESCCOC(=O)CNC(=O)N1CCCC2CCCCC21
InChIInChI=1S/C14H24N2O3/c1-2-19-13(17)10-15-14(18)16-9-5-7-11-6-3-4-8-12(11)16/h11-12H,2-10H2,1H3,(H,15,18)
InChIKeyYUNCWVGWPUOVPS-UHFFFAOYSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)acetate with MolForge

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Related Compounds

1-[(2-ethoxy-2-oxoethyl)carbamoyl]azepane-2-carboxylic acid
CID 64563112
1,4-bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butane-1,4-dione
CID 66795041
2-[[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]acetyl]amino]acetic acid
CID 102727447
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)-3-hydroxy-3-methylbutanoic acid
CID 66003595
ethyl 2-[[(2R)-2-(5-methylthiophen-2-yl)azepane-1-carbonyl]amino]acetate
CID 92503186
ethyl 2-[[(2S)-2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate
CID 94610145
N-propyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 115599238
2-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)acetyl]amino]acetic acid
CID 65320370
2-cyclohexyl-N-[3-(dimethylamino)-3-oxopropyl]pyrrolidine-1-carboxamide
CID 71938767
ethyl 2-[[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 92894354
2-[(2-ethoxy-2-oxoethyl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102889942
ethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate
CID 61403470

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)acetate?
The IUPAC name of ethyl 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)acetate (CID 43404889) is ethyl 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)acetate.
What is the SMILES notation for ethyl 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)acetate?
The canonical SMILES for ethyl 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)acetate is CCOC(=O)CNC(=O)N1CCCC2CCCCC21.
What is the InChIKey of ethyl 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)acetate?
The InChIKey is YUNCWVGWPUOVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-19-13(17)10-15-14(18)16-9-5-7-11-6-3-4-8-12(11)16/h11-12H,2-10H2,1H3,(H,15,18).
What are the key properties of ethyl 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)acetate?
ethyl 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)acetate has a molecular weight of 268.36 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)acetate is sourced from PubChem (CID 43404889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).