(2R)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide

C11H16N2O4S — CID 81434349

IUPAC(2R)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide
SMILESCC[C@@H](N)C(=O)Nc1cc(S(C)(=O)=O)ccc1O
InChIInChI=1S/C11H16N2O4S/c1-3-8(12)11(15)13-9-6-7(18(2,16)17)4-5-10(9)14/h4-6,8,14H,3,12H2,1-2H3,(H,13,15)/t8-/m1/s1
InChIKeyYZYBHUREDVELSI-MRVPVSSYSA-N
MW272.33 g/mol
LogP0.47
Rot. Bonds4

About (2R)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide

(2R)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide (PubChem CID 81434349) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide
PubChem CID81434349
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name(2R)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide
SMILESCC[C@@H](N)C(=O)Nc1cc(S(C)(=O)=O)ccc1O
InChIInChI=1S/C11H16N2O4S/c1-3-8(12)11(15)13-9-6-7(18(2,16)17)4-5-10(9)14/h4-6,8,14H,3,12H2,1-2H3,(H,13,15)/t8-/m1/s1
InChIKeyYZYBHUREDVELSI-MRVPVSSYSA-N
XLogP0.47
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[5-(Ethylsulfonyl)-2-hydroxyanilino]-5-oxopentanoic acid
CID 2811572
N-[5-(ethylsulfonyl)-2-hydroxyphenyl]-N'-propylurea
CID 2811580
Butanamide, 2-(2-(5-(aminosulfonyl)-2-hydroxyphenyl)diazenyl)-3-oxo-N-phenyl-
CID 89535
1-(5-Ethylsulfonyl-2-hydroxyphenyl)-3-phenylurea
CID 733062
(cyclohexylamino)-N-[5-(ethylsulfonyl)-2-hydroxyphenyl]carboxamide
CID 2355038
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)cyclobutanecarboxamide
CID 18108804
N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]cyclobutanecarboxamide
CID 38337879
US10287278, Example 18
CID 145996297
N-(2-hydroxyphenyl)-2-(phenylsulfonyl)acetamide
CID 1259997
5-(5-Ethylsulfonyl-2-hydroxyanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 2811571
2-[2-(5-Ethylsulfonyl-2-hydroxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 2811575
Butanamide, 2-[2-[2-hydroxy-5-[(methylamino)sulfonyl]phenyl]diazenyl]-3-oxo-N-phenyl-
CID 89536

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide?
The IUPAC name of (2R)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide (CID 81434349) is (2R)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide?
The canonical SMILES for (2R)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide is CC[C@@H](N)C(=O)Nc1cc(S(C)(=O)=O)ccc1O.
What is the InChIKey of (2R)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide?
The InChIKey is YZYBHUREDVELSI-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-3-8(12)11(15)13-9-6-7(18(2,16)17)4-5-10(9)14/h4-6,8,14H,3,12H2,1-2H3,(H,13,15)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide?
(2R)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide has a molecular weight of 272.33 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide is sourced from PubChem (CID 81434349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).