1-(1-methoxypropan-2-ylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid

C15H26N2O4 — CID 66469898

IUPAC1-(1-methoxypropan-2-ylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid
SMILESCOCC(C)NC(=O)N1C(C(=O)O)CCC2CCCCC21
InChIInChI=1S/C15H26N2O4/c1-10(9-21-2)16-15(20)17-12-6-4-3-5-11(12)7-8-13(17)14(18)19/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyDYMQQDCACKRTNI-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.84
Rot. Bonds4

About 1-(1-methoxypropan-2-ylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid

1-(1-methoxypropan-2-ylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid (PubChem CID 66469898) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-ylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-methoxypropan-2-ylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid
PubChem CID66469898
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-(1-methoxypropan-2-ylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid
SMILESCOCC(C)NC(=O)N1C(C(=O)O)CCC2CCCCC21
InChIInChI=1S/C15H26N2O4/c1-10(9-21-2)16-15(20)17-12-6-4-3-5-11(12)7-8-13(17)14(18)19/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyDYMQQDCACKRTNI-UHFFFAOYSA-N
XLogP1.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-methoxypropan-2-ylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid with MolForge

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Related Compounds

1-(3-methylbutylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid
CID 66471109
(2R)-2-cyclopentyl-N-[(2S)-1-methoxypropan-2-yl]pyrrolidine-1-carboxamide
CID 96559192
1-(2-methylpropylcarbamoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 61186463
1-(4-amino-3-methylbutanoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid
CID 81079520
1-(3-methylbutylcarbamoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 61184043
1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid
CID 66471931
1-[2-(2-methoxyethylamino)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 79281686
1-butan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid
CID 66471933
1-pentanoyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid
CID 66469665
1-[2-(2-aminoethoxy)acetyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid
CID 79478817
1-(2-methylbutan-2-yloxycarbonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid
CID 170530057
1-(2-amino-3,3-dimethylbutanoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid
CID 77134934

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-ylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid?
The IUPAC name of 1-(1-methoxypropan-2-ylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid (CID 66469898) is 1-(1-methoxypropan-2-ylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid.
What is the SMILES notation for 1-(1-methoxypropan-2-ylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid?
The canonical SMILES for 1-(1-methoxypropan-2-ylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid is COCC(C)NC(=O)N1C(C(=O)O)CCC2CCCCC21.
What is the InChIKey of 1-(1-methoxypropan-2-ylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid?
The InChIKey is DYMQQDCACKRTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10(9-21-2)16-15(20)17-12-6-4-3-5-11(12)7-8-13(17)14(18)19/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 1-(1-methoxypropan-2-ylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid?
1-(1-methoxypropan-2-ylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-ylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid is sourced from PubChem (CID 66469898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).