(2S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-hydroxypropanoic acid

C11H12N2O5S — CID 29266416

IUPAC(2S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-hydroxypropanoic acid
SMILESN#Cc1ccc(CS(=O)(=O)N[C@@H](CO)C(=O)O)cc1
InChIInChI=1S/C11H12N2O5S/c12-5-8-1-3-9(4-2-8)7-19(17,18)13-10(6-14)11(15)16/h1-4,10,13-14H,6-7H2,(H,15,16)/t10-/m0/s1
InChIKeyUPMYQAOBXLWHJT-JTQLQIEISA-N
MW284.29 g/mol
LogP-0.58
Rot. Bonds6

About (2S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-hydroxypropanoic acid

(2S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-hydroxypropanoic acid (PubChem CID 29266416) has the molecular formula C11H12N2O5S and a molecular weight of 284.29 g/mol. Its IUPAC name is (2S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-hydroxypropanoic acid
PubChem CID29266416
Molecular FormulaC11H12N2O5S
Molecular Weight284.29 g/mol
Exact Mass284.05
IUPAC Name(2S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-hydroxypropanoic acid
SMILESN#Cc1ccc(CS(=O)(=O)N[C@@H](CO)C(=O)O)cc1
InChIInChI=1S/C11H12N2O5S/c12-5-8-1-3-9(4-2-8)7-19(17,18)13-10(6-14)11(15)16/h1-4,10,13-14H,6-7H2,(H,15,16)/t10-/m0/s1
InChIKeyUPMYQAOBXLWHJT-JTQLQIEISA-N
XLogP-0.58
TPSA127.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-hydroxypropanoic 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

2-[(4-cyanophenyl)methylsulfonylamino]-4-hydroxybutanoic acid
CID 61243869
2-[(4-cyanophenyl)methylsulfonylamino]-3,3-dimethylbutanoic acid
CID 43468038
(2S)-2-[(4-cyanophenyl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 55053951
2-[(2-cyanophenyl)methylsulfonylamino]-3-hydroxypropanoic acid
CID 43080450
(2S)-2-(benzylsulfonylamino)-4-hydroxybutanoic acid
CID 104934956
(2R)-2-(benzenesulfonamido)-3-(4-cyanophenyl)propanoic acid
CID 1491108
2-[(4-cyanophenyl)methylsulfonylamino]oxyacetic acid
CID 60693504
N-(1-aminopropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide
CID 63731343
(2R)-3-hydroxy-2-[(3-methoxycarbonylphenyl)methylsulfonylamino]propanoic acid
CID 80755909
(2S)-2-[(3-cyanophenyl)methylsulfonylamino]hexanoic acid
CID 104934659
2-[[2-[(4-cyanophenyl)methylsulfonylamino]acetyl]amino]acetic acid
CID 43387978
(2R)-2-(benzylsulfonylamino)-3-phenylmethoxypropanoic acid
CID 11163898

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-hydroxypropanoic acid (CID 29266416) is (2S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-hydroxypropanoic acid is N#Cc1ccc(CS(=O)(=O)N[C@@H](CO)C(=O)O)cc1.
What is the InChIKey of (2S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-hydroxypropanoic acid?
The InChIKey is UPMYQAOBXLWHJT-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12N2O5S/c12-5-8-1-3-9(4-2-8)7-19(17,18)13-10(6-14)11(15)16/h1-4,10,13-14H,6-7H2,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-hydroxypropanoic acid?
(2S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-hydroxypropanoic acid has a molecular weight of 284.29 g/mol, XLogP of -0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 29266416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).