(2R)-2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid

C14H16N2O4S — CID 103862690

IUPAC(2R)-2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid
SMILESCC[C@@H](NS(=O)(=O)c1ccc(C)c2ncccc12)C(=O)O
InChIInChI=1S/C14H16N2O4S/c1-3-11(14(17)18)16-21(19,20)12-7-6-9(2)13-10(12)5-4-8-15-13/h4-8,11,16H,3H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyFZBHTIMDVNWFEC-LLVKDONJSA-N
MW308.36 g/mol
LogP1.68
Rot. Bonds5

About (2R)-2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid

(2R)-2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid (PubChem CID 103862690) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is (2R)-2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid
PubChem CID103862690
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name(2R)-2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid
SMILESCC[C@@H](NS(=O)(=O)c1ccc(C)c2ncccc12)C(=O)O
InChIInChI=1S/C14H16N2O4S/c1-3-11(14(17)18)16-21(19,20)12-7-6-9(2)13-10(12)5-4-8-15-13/h4-8,11,16H,3H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyFZBHTIMDVNWFEC-LLVKDONJSA-N
XLogP1.68
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid
CID 104773542
N-hex-5-yn-3-yl-8-methylquinoline-5-sulfonamide
CID 115650497
8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide
CID 55559982
2-[(8-methylquinolin-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 134002702
N-[(1S)-1-cyclopropylethyl]-8-methylquinoline-5-sulfonamide
CID 95933685
1-[(8-methylquinolin-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid
CID 115578255
N-(1-amino-3-methoxypropan-2-yl)-8-methylquinoline-5-sulfonamide
CID 106181485
2-[(8-methylquinolin-5-yl)sulfonylamino]oxyacetamide
CID 113451704
N-(2-amino-1-cyclopentylethyl)-8-methylquinoline-5-sulfonamide
CID 120585095
2-[(8-methylquinolin-5-yl)sulfonylamino]ethanethioamide
CID 104773629
N-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride
CID 84591258
2-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid
CID 43470023

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid?
The IUPAC name of (2R)-2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid (CID 103862690) is (2R)-2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for (2R)-2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid?
The canonical SMILES for (2R)-2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid is CC[C@@H](NS(=O)(=O)c1ccc(C)c2ncccc12)C(=O)O.
What is the InChIKey of (2R)-2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid?
The InChIKey is FZBHTIMDVNWFEC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-3-11(14(17)18)16-21(19,20)12-7-6-9(2)13-10(12)5-4-8-15-13/h4-8,11,16H,3H2,1-2H3,(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid?
(2R)-2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid has a molecular weight of 308.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 103862690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).