(2R)-2-[(4-formylphenyl)sulfonylamino]propanoic acid

C10H11NO5S — CID 89012126

IUPAC(2R)-2-[(4-formylphenyl)sulfonylamino]propanoic acid
SMILESC[C@@H](NS(=O)(=O)c1ccc(C=O)cc1)C(=O)O
InChIInChI=1S/C10H11NO5S/c1-7(10(13)14)11-17(15,16)9-4-2-8(6-12)3-5-9/h2-7,11H,1H3,(H,13,14)/t7-/m1/s1
InChIKeyGWSWSTBXIYEVFU-SSDOTTSWSA-N
MW257.27 g/mol
LogP0.25
Rot. Bonds5

About (2R)-2-[(4-formylphenyl)sulfonylamino]propanoic acid

(2R)-2-[(4-formylphenyl)sulfonylamino]propanoic acid (PubChem CID 89012126) has the molecular formula C10H11NO5S and a molecular weight of 257.27 g/mol. Its IUPAC name is (2R)-2-[(4-formylphenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-formylphenyl)sulfonylamino]propanoic acid
PubChem CID89012126
Molecular FormulaC10H11NO5S
Molecular Weight257.27 g/mol
Exact Mass257.04
IUPAC Name(2R)-2-[(4-formylphenyl)sulfonylamino]propanoic acid
SMILESC[C@@H](NS(=O)(=O)c1ccc(C=O)cc1)C(=O)O
InChIInChI=1S/C10H11NO5S/c1-7(10(13)14)11-17(15,16)9-4-2-8(6-12)3-5-9/h2-7,11H,1H3,(H,13,14)/t7-/m1/s1
InChIKeyGWSWSTBXIYEVFU-SSDOTTSWSA-N
XLogP0.25
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (2R)-2-[(4-formylphenyl)sulfonylamino]propanoic 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)-2-[(4-methylphenyl)sulfonylamino]propanoic acid;hydrate
CID 131749441
(2S)-2-[(4-acetylphenyl)sulfonylamino]propanoic acid
CID 2080939
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
(2R)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid
CID 42254919
(2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid
CID 51715390
(2S)-2-[[4-(4-hydroxysulfanylphenyl)phenyl]sulfonylamino]propanoic acid
CID 163865049
(2S)-2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]propanoic acid
CID 142835559
(2S)-2-[(4-ethenylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 15548255
(2S)-2-[(6-methylsulfonyl-3-pyridinyl)sulfonylamino]propanoic acid
CID 120660271
N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994182
(2R)-2-[[4-[2-(4-methylphenyl)-2-oxoethyl]phenyl]sulfonylamino]propanoic acid
CID 67589218
(2S)-2-[(6-methoxy-3-pyridinyl)sulfonylamino]propanoic acid
CID 122069805

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-formylphenyl)sulfonylamino]propanoic acid?
The IUPAC name of (2R)-2-[(4-formylphenyl)sulfonylamino]propanoic acid (CID 89012126) is (2R)-2-[(4-formylphenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[(4-formylphenyl)sulfonylamino]propanoic acid?
The canonical SMILES for (2R)-2-[(4-formylphenyl)sulfonylamino]propanoic acid is C[C@@H](NS(=O)(=O)c1ccc(C=O)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[(4-formylphenyl)sulfonylamino]propanoic acid?
The InChIKey is GWSWSTBXIYEVFU-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11NO5S/c1-7(10(13)14)11-17(15,16)9-4-2-8(6-12)3-5-9/h2-7,11H,1H3,(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-[(4-formylphenyl)sulfonylamino]propanoic acid?
(2R)-2-[(4-formylphenyl)sulfonylamino]propanoic acid has a molecular weight of 257.27 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-formylphenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 89012126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).