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

C16H26N2O3 — CID 61204859

IUPAC2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)-2-cyclopropylpropanoic acid
SMILESCC(NC(=O)N1CCCC2CCCCC21)(C(=O)O)C1CC1
InChIInChI=1S/C16H26N2O3/c1-16(14(19)20,12-8-9-12)17-15(21)18-10-4-6-11-5-2-3-7-13(11)18/h11-13H,2-10H2,1H3,(H,17,21)(H,19,20)
InChIKeySGZUIFBHGWWMFU-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.60
Rot. Bonds3

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

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)-2-cyclopropylpropanoic acid (PubChem CID 61204859) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)-2-cyclopropylpropanoic acid
PubChem CID61204859
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)-2-cyclopropylpropanoic acid
SMILESCC(NC(=O)N1CCCC2CCCCC21)(C(=O)O)C1CC1
InChIInChI=1S/C16H26N2O3/c1-16(14(19)20,12-8-9-12)17-15(21)18-10-4-6-11-5-2-3-7-13(11)18/h11-13H,2-10H2,1H3,(H,17,21)(H,19,20)
InChIKeySGZUIFBHGWWMFU-UHFFFAOYSA-N
XLogP2.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)-2-methylpropanoic acid
CID 65320041
2-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 79801990
N-tert-butyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 115695145
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)-3-hydroxy-3-methylbutanoic acid
CID 66003595
1-(2-cyclohexylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one
CID 64593206
N,N-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 115575763
2-(cyclopentanecarbonylamino)-2-cyclopropylpropanoic acid
CID 43163071
N-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 115599234
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 102725627
ethyl 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)acetate
CID 43404889
N-tert-butyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxamide
CID 102680557

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)-2-cyclopropylpropanoic acid?
The IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)-2-cyclopropylpropanoic acid (CID 61204859) is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)-2-cyclopropylpropanoic acid is CC(NC(=O)N1CCCC2CCCCC21)(C(=O)O)C1CC1.
What is the InChIKey of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)-2-cyclopropylpropanoic acid?
The InChIKey is SGZUIFBHGWWMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-16(14(19)20,12-8-9-12)17-15(21)18-10-4-6-11-5-2-3-7-13(11)18/h11-13H,2-10H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)-2-cyclopropylpropanoic acid?
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)-2-cyclopropylpropanoic acid has a molecular weight of 294.39 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)-2-cyclopropylpropanoic acid is sourced from PubChem (CID 61204859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).