2-(1,2,3,4-tetrahydroquinolin-7-ylsulfamoyl)propanoic acid

C12H16N2O4S — CID 63931455

IUPAC2-(1,2,3,4-tetrahydroquinolin-7-ylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1ccc2c(c1)NCCC2
InChIInChI=1S/C12H16N2O4S/c1-8(12(15)16)19(17,18)14-10-5-4-9-3-2-6-13-11(9)7-10/h4-5,7-8,13-14H,2-3,6H2,1H3,(H,15,16)
InChIKeyAMGCLSCGLLVHTI-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.26
Rot. Bonds4

About 2-(1,2,3,4-tetrahydroquinolin-7-ylsulfamoyl)propanoic acid

2-(1,2,3,4-tetrahydroquinolin-7-ylsulfamoyl)propanoic acid (PubChem CID 63931455) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydroquinolin-7-ylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydroquinolin-7-ylsulfamoyl)propanoic acid
PubChem CID63931455
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name2-(1,2,3,4-tetrahydroquinolin-7-ylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1ccc2c(c1)NCCC2
InChIInChI=1S/C12H16N2O4S/c1-8(12(15)16)19(17,18)14-10-5-4-9-3-2-6-13-11(9)7-10/h4-5,7-8,13-14H,2-3,6H2,1H3,(H,15,16)
InChIKeyAMGCLSCGLLVHTI-UHFFFAOYSA-N
XLogP1.26
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(1,2,3,4-tetrahydroquinolin-7-ylsulfamoyl)propanoate
CID 63931457
2-methylsulfonyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)ethanesulfonamide
CID 63928943
N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-pyrazole-5-sulfonamide
CID 102693598
2-(2,3-dihydro-1-benzofuran-5-ylsulfamoyl)propanoic acid
CID 54947859
2-hydroxy-5-(1,2,3,4-tetrahydroquinolin-7-ylsulfamoyl)benzamide
CID 130406117
4-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)piperidine-1-sulfonamide
CID 63930609
N-butan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine
CID 79676970
2-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
CID 63928946
2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopropane-1-carboxamide
CID 63928713
1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea
CID 63928941
2-(pyridin-4-ylsulfamoyl)propanoic acid
CID 61454432
1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiolane-3-sulfonamide
CID 63931452

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydroquinolin-7-ylsulfamoyl)propanoic acid?
The IUPAC name of 2-(1,2,3,4-tetrahydroquinolin-7-ylsulfamoyl)propanoic acid (CID 63931455) is 2-(1,2,3,4-tetrahydroquinolin-7-ylsulfamoyl)propanoic acid.
What is the SMILES notation for 2-(1,2,3,4-tetrahydroquinolin-7-ylsulfamoyl)propanoic acid?
The canonical SMILES for 2-(1,2,3,4-tetrahydroquinolin-7-ylsulfamoyl)propanoic acid is CC(C(=O)O)S(=O)(=O)Nc1ccc2c(c1)NCCC2.
What is the InChIKey of 2-(1,2,3,4-tetrahydroquinolin-7-ylsulfamoyl)propanoic acid?
The InChIKey is AMGCLSCGLLVHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-8(12(15)16)19(17,18)14-10-5-4-9-3-2-6-13-11(9)7-10/h4-5,7-8,13-14H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 2-(1,2,3,4-tetrahydroquinolin-7-ylsulfamoyl)propanoic acid?
2-(1,2,3,4-tetrahydroquinolin-7-ylsulfamoyl)propanoic acid has a molecular weight of 284.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydroquinolin-7-ylsulfamoyl)propanoic acid is sourced from PubChem (CID 63931455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).