(2R)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid

C13H14N2O5S — CID 104933783

IUPAC(2R)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid
SMILESO=C(O)[C@@H](CCO)NS(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C13H14N2O5S/c16-8-6-11(13(17)18)15-21(19,20)12-5-1-4-10-9(12)3-2-7-14-10/h1-5,7,11,15-16H,6,8H2,(H,17,18)/t11-/m1/s1
InChIKeyMYHYDDQKDJSYSA-LLVKDONJSA-N
MW310.33 g/mol
LogP0.35
Rot. Bonds6

About (2R)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid

(2R)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid (PubChem CID 104933783) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid
PubChem CID104933783
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Name(2R)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid
SMILESO=C(O)[C@@H](CCO)NS(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C13H14N2O5S/c16-8-6-11(13(17)18)15-21(19,20)12-5-1-4-10-9(12)3-2-7-14-10/h1-5,7,11,15-16H,6,8H2,(H,17,18)/t11-/m1/s1
InChIKeyMYHYDDQKDJSYSA-LLVKDONJSA-N
XLogP0.35
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid
CID 104934981
N-(1-hydroxy-4-methylpentan-3-yl)quinoline-5-sulfonamide
CID 103836279
N-[(3R)-1-hydroxypentan-3-yl]quinoline-5-sulfonamide
CID 97096071
N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide
CID 115755300
2-(quinolin-5-ylsulfonylamino)pentanethioamide
CID 104773636
N-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide
CID 103918665
N-(2-ethyl-4-hydroxybutyl)quinoline-5-sulfonamide
CID 115701460
(2S)-N-ethyl-2-(quinolin-5-ylsulfonylamino)propanamide
CID 94812620
(2S)-2-[(2-bromophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935022
N-(1-chloropropan-2-yl)quinoline-5-sulfonamide
CID 104774167
N-(6-hydroxyhexyl)quinoline-5-sulfonamide
CID 103918476
(2R)-4-hydroxy-2-[(2-methoxycarbonylphenyl)sulfonylamino]butanoic acid
CID 104933807

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid (CID 104933783) is (2R)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid is O=C(O)[C@@H](CCO)NS(=O)(=O)c1cccc2ncccc12.
What is the InChIKey of (2R)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid?
The InChIKey is MYHYDDQKDJSYSA-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14N2O5S/c16-8-6-11(13(17)18)15-21(19,20)12-5-1-4-10-9(12)3-2-7-14-10/h1-5,7,11,15-16H,6,8H2,(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid?
(2R)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid has a molecular weight of 310.33 g/mol, XLogP of 0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 104933783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).