2-[cyclopropylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

C15H20N2O2 — CID 62701328

IUPAC2-[cyclopropylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCN(CC1CC1)c1nc2c(cc1C(=O)O)CCCC2
InChIInChI=1S/C15H20N2O2/c1-17(9-10-6-7-10)14-12(15(18)19)8-11-4-2-3-5-13(11)16-14/h8,10H,2-7,9H2,1H3,(H,18,19)
InChIKeyLYLJLYGWZBQMLX-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.50
Rot. Bonds4

About 2-[cyclopropylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

2-[cyclopropylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (PubChem CID 62701328) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
PubChem CID62701328
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[cyclopropylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCN(CC1CC1)c1nc2c(cc1C(=O)O)CCCC2
InChIInChI=1S/C15H20N2O2/c1-17(9-10-6-7-10)14-12(15(18)19)8-11-4-2-3-5-13(11)16-14/h8,10H,2-7,9H2,1H3,(H,18,19)
InChIKeyLYLJLYGWZBQMLX-UHFFFAOYSA-N
XLogP2.50
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclobutylmethyl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 55125729
2-[cyclopropylmethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 63940122
2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 76950871
2-[methyl(pyridin-4-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62701830
2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62702838
3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-2-amine
CID 63726407
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62702878
2-[cyclopentylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63656342
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62703012
2-[methyl(3-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62701660
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62701161
methyl 2-[cyclopropylmethyl(methyl)amino]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
CID 169247691

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The IUPAC name of 2-[cyclopropylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (CID 62701328) is 2-[cyclopropylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The canonical SMILES for 2-[cyclopropylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is CN(CC1CC1)c1nc2c(cc1C(=O)O)CCCC2.
What is the InChIKey of 2-[cyclopropylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The InChIKey is LYLJLYGWZBQMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-17(9-10-6-7-10)14-12(15(18)19)8-11-4-2-3-5-13(11)16-14/h8,10H,2-7,9H2,1H3,(H,18,19).
What are the key properties of 2-[cyclopropylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
2-[cyclopropylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is sourced from PubChem (CID 62701328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).