1-[1-(aminomethyl)cyclobutanecarbonyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid

C16H20N2O3 — CID 115448262

IUPAC1-[1-(aminomethyl)cyclobutanecarbonyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESNCC1(C(=O)N2CCCc3cc(C(=O)O)ccc32)CCC1
InChIInChI=1S/C16H20N2O3/c17-10-16(6-2-7-16)15(21)18-8-1-3-11-9-12(14(19)20)4-5-13(11)18/h4-5,9H,1-3,6-8,10,17H2,(H,19,20)
InChIKeyXYDPAYDITQYKMY-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.79
Rot. Bonds3

About 1-[1-(aminomethyl)cyclobutanecarbonyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid

1-[1-(aminomethyl)cyclobutanecarbonyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid (PubChem CID 115448262) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclobutanecarbonyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclobutanecarbonyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
PubChem CID115448262
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[1-(aminomethyl)cyclobutanecarbonyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESNCC1(C(=O)N2CCCc3cc(C(=O)O)ccc32)CCC1
InChIInChI=1S/C16H20N2O3/c17-10-16(6-2-7-16)15(21)18-8-1-3-11-9-12(14(19)20)4-5-13(11)18/h4-5,9H,1-3,6-8,10,17H2,(H,19,20)
InChIKeyXYDPAYDITQYKMY-UHFFFAOYSA-N
XLogP1.79
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-5-carboxylic acid
CID 115448261
1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61159437
1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 60759910
[1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115441389
1-(2-methoxy-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 103018179
(1-aminocyclobutyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81178918
1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid
CID 45349399
1-(2-aminopentanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157588
[4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone
CID 120929973
[4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 120929972
1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43325464
1-(2-aminohexanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157599

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclobutanecarbonyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The IUPAC name of 1-[1-(aminomethyl)cyclobutanecarbonyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid (CID 115448262) is 1-[1-(aminomethyl)cyclobutanecarbonyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid.
What is the SMILES notation for 1-[1-(aminomethyl)cyclobutanecarbonyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The canonical SMILES for 1-[1-(aminomethyl)cyclobutanecarbonyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid is NCC1(C(=O)N2CCCc3cc(C(=O)O)ccc32)CCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclobutanecarbonyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The InChIKey is XYDPAYDITQYKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c17-10-16(6-2-7-16)15(21)18-8-1-3-11-9-12(14(19)20)4-5-13(11)18/h4-5,9H,1-3,6-8,10,17H2,(H,19,20).
What are the key properties of 1-[1-(aminomethyl)cyclobutanecarbonyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid?
1-[1-(aminomethyl)cyclobutanecarbonyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclobutanecarbonyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid is sourced from PubChem (CID 115448262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).