(4R)-4-amino-4-[(4-methylphenyl)sulfonylamino]butanoic acid

C11H16N2O4S — CID 67626596

IUPAC(4R)-4-amino-4-[(4-methylphenyl)sulfonylamino]butanoic acid
SMILESCc1ccc(S(=O)(=O)N[C@@H](N)CCC(=O)O)cc1
InChIInChI=1S/C11H16N2O4S/c1-8-2-4-9(5-3-8)18(16,17)13-10(12)6-7-11(14)15/h2-5,10,13H,6-7,12H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyHYPSNYBKQAQAQC-SNVBAGLBSA-N
MW272.33 g/mol
LogP0.42
Rot. Bonds6

About (4R)-4-amino-4-[(4-methylphenyl)sulfonylamino]butanoic acid

(4R)-4-amino-4-[(4-methylphenyl)sulfonylamino]butanoic acid (PubChem CID 67626596) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is (4R)-4-amino-4-[(4-methylphenyl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name(4R)-4-amino-4-[(4-methylphenyl)sulfonylamino]butanoic acid
PubChem CID67626596
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name(4R)-4-amino-4-[(4-methylphenyl)sulfonylamino]butanoic acid
SMILESCc1ccc(S(=O)(=O)N[C@@H](N)CCC(=O)O)cc1
InChIInChI=1S/C11H16N2O4S/c1-8-2-4-9(5-3-8)18(16,17)13-10(12)6-7-11(14)15/h2-5,10,13H,6-7,12H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyHYPSNYBKQAQAQC-SNVBAGLBSA-N
XLogP0.42
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

lithium (2S)-5-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate
CID 171479381
2-[(4-methylphenyl)sulfonylamino]butanoate
CID 4987554
ethyl 2,2-bis[(4-methylphenyl)sulfonylamino]acetate
CID 11133698
3-[(4-methylphenyl)sulfonylamino]butylcarbamic acid
CID 139490787
4-chloro-2-[(4-methylphenyl)sulfonylamino]butanoic acid
CID 19391793
(2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid;hydrate
CID 131749441
dimethyl 2-[(4-methylphenyl)sulfonylamino]propanedioate
CID 11141140
7-(4-fluorophenyl)-7-[(4-methylphenyl)sulfonylamino]heptanoic acid
CID 139616882
2-[(4-methylphenyl)sulfonylamino]pentanedioyl dichloride
CID 71384812
(2S)-3-(carbamoylamino)-2-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 36688296
(2R,3R)-2-hydroxy-3-[(4-methylphenyl)sulfonylamino]butanedioic acid
CID 102211028
(2S)-2,3-bis[(4-methylphenyl)sulfonylamino]propanoic acid
CID 44722108

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-[(4-methylphenyl)sulfonylamino]butanoic acid?
The IUPAC name of (4R)-4-amino-4-[(4-methylphenyl)sulfonylamino]butanoic acid (CID 67626596) is (4R)-4-amino-4-[(4-methylphenyl)sulfonylamino]butanoic acid.
What is the SMILES notation for (4R)-4-amino-4-[(4-methylphenyl)sulfonylamino]butanoic acid?
The canonical SMILES for (4R)-4-amino-4-[(4-methylphenyl)sulfonylamino]butanoic acid is Cc1ccc(S(=O)(=O)N[C@@H](N)CCC(=O)O)cc1.
What is the InChIKey of (4R)-4-amino-4-[(4-methylphenyl)sulfonylamino]butanoic acid?
The InChIKey is HYPSNYBKQAQAQC-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-8-2-4-9(5-3-8)18(16,17)13-10(12)6-7-11(14)15/h2-5,10,13H,6-7,12H2,1H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (4R)-4-amino-4-[(4-methylphenyl)sulfonylamino]butanoic acid?
(4R)-4-amino-4-[(4-methylphenyl)sulfonylamino]butanoic acid has a molecular weight of 272.33 g/mol, XLogP of 0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-[(4-methylphenyl)sulfonylamino]butanoic acid is sourced from PubChem (CID 67626596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).