4-amino-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid

C11H20N2O3 — CID 163133417

IUPAC4-amino-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid
SMILESCOC1CCC2NCC(C(=O)O)C(N)C2C1
InChIInChI=1S/C11H20N2O3/c1-16-6-2-3-9-7(4-6)10(12)8(5-13-9)11(14)15/h6-10,13H,2-5,12H2,1H3,(H,14,15)
InChIKeyADAKLYGFMGYHDM-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.20
Rot. Bonds2

About 4-amino-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid

4-amino-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid (PubChem CID 163133417) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-amino-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid
PubChem CID163133417
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name4-amino-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid
SMILESCOC1CCC2NCC(C(=O)O)C(N)C2C1
InChIInChI=1S/C11H20N2O3/c1-16-6-2-3-9-7(4-6)10(12)8(5-13-9)11(14)15/h6-10,13H,2-5,12H2,1H3,(H,14,15)
InChIKeyADAKLYGFMGYHDM-UHFFFAOYSA-N
XLogP-0.20
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid with MolForge

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Related Compounds

(2R,4S,4aR,6R,8aS)-2-chloro-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylic acid
CID 124924787
(1R,2R,4S)-4-methoxy-2-methylcyclohexane-1-carboxylic acid
CID 125470813
ethyl 4-(2-hydroxypropylamino)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate
CID 163116780
4-methoxy-2-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 149145912
(1S)-4-methoxy-2-(methylcarbamoyl)cyclohexane-1-carboxylic acid;yttrium
CID 159970528
cis-(1S,3R)-3-methoxycyclohexane-1-carboxylic acid
CID 853156
(4aR,6R,8aS)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 92759205
1-(3-methoxycyclopentyl)ethanone
CID 140959253
1-(4-methoxypyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918579
4-methoxypyrrolidine-2-carboxylic acid;hydrochloride
CID 77213691
4-methoxy-2-methylcyclohexan-1-amine
CID 147825198
2-methoxycyclobutane-1-carboxylic acid
CID 130021042

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid?
The IUPAC name of 4-amino-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid (CID 163133417) is 4-amino-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid.
What is the SMILES notation for 4-amino-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid?
The canonical SMILES for 4-amino-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid is COC1CCC2NCC(C(=O)O)C(N)C2C1.
What is the InChIKey of 4-amino-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid?
The InChIKey is ADAKLYGFMGYHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-16-6-2-3-9-7(4-6)10(12)8(5-13-9)11(14)15/h6-10,13H,2-5,12H2,1H3,(H,14,15).
What are the key properties of 4-amino-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid?
4-amino-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of -0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid is sourced from PubChem (CID 163133417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).