4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]oxolane-3-carboxylic acid

C15H24N2O4 — CID 102727427

IUPAC4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]oxolane-3-carboxylic acid
SMILESO=C(O)C1COCC1NC(=O)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C15H24N2O4/c18-14(19)11-8-21-9-12(11)16-15(20)17-7-3-5-10-4-1-2-6-13(10)17/h10-13H,1-9H2,(H,16,20)(H,18,19)/t10-,11?,12?,13-/m1/s1
InChIKeyOASXPWKPQXBQEF-IKWCTNDRSA-N
MW296.37 g/mol
LogP1.45
Rot. Bonds2

About 4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]oxolane-3-carboxylic acid

4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]oxolane-3-carboxylic acid (PubChem CID 102727427) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]oxolane-3-carboxylic acid
PubChem CID102727427
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]oxolane-3-carboxylic acid
SMILESO=C(O)C1COCC1NC(=O)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C15H24N2O4/c18-14(19)11-8-21-9-12(11)16-15(20)17-7-3-5-10-4-1-2-6-13(10)17/h10-13H,1-9H2,(H,16,20)(H,18,19)/t10-,11?,12?,13-/m1/s1
InChIKeyOASXPWKPQXBQEF-IKWCTNDRSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]oxolane-3-carboxylic acid with MolForge

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Related Compounds

4-[(2-methylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66239382
4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 115535124
4-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66238964
4-[(3-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66240354
4-[(2-cyclobutylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024853
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonylamino)cyclopentane-1-carboxylic acid
CID 64815380
(4-aminooxolan-3-yl)-(2-cyclohexylpyrrolidin-1-yl)methanone
CID 66237049
4-[(4,4-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66239177
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 102727428
4-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79191673
4-[(4,4-dimethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66239386
4-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 66240185

Frequently Asked Questions

What is the IUPAC name of 4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]oxolane-3-carboxylic acid (CID 102727427) is 4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]oxolane-3-carboxylic acid is O=C(O)C1COCC1NC(=O)N1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of 4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]oxolane-3-carboxylic acid?
The InChIKey is OASXPWKPQXBQEF-IKWCTNDRSA-N. The full InChI is InChI=1S/C15H24N2O4/c18-14(19)11-8-21-9-12(11)16-15(20)17-7-3-5-10-4-1-2-6-13(10)17/h10-13H,1-9H2,(H,16,20)(H,18,19)/t10-,11?,12?,13-/m1/s1.
What are the key properties of 4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]oxolane-3-carboxylic acid?
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]oxolane-3-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 102727427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).