(2R)-4-amino-4-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid

C13H18N2O5S — CID 104935181

IUPAC(2R)-4-amino-4-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid
SMILESCC(C)c1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)O)cc1
InChIInChI=1S/C13H18N2O5S/c1-8(2)9-3-5-10(6-4-9)21(19,20)15-11(13(17)18)7-12(14)16/h3-6,8,11,15H,7H2,1-2H3,(H2,14,16)(H,17,18)/t11-/m1/s1
InChIKeyCOGBLOMLMSNRNQ-LLVKDONJSA-N
MW314.36 g/mol
LogP0.42
Rot. Bonds7

About (2R)-4-amino-4-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid

(2R)-4-amino-4-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid (PubChem CID 104935181) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is (2R)-4-amino-4-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-4-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid
PubChem CID104935181
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name(2R)-4-amino-4-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid
SMILESCC(C)c1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)O)cc1
InChIInChI=1S/C13H18N2O5S/c1-8(2)9-3-5-10(6-4-9)21(19,20)15-11(13(17)18)7-12(14)16/h3-6,8,11,15H,7H2,1-2H3,(H2,14,16)(H,17,18)/t11-/m1/s1
InChIKeyCOGBLOMLMSNRNQ-LLVKDONJSA-N
XLogP0.42
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-4-amino-4-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid with MolForge

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Related Compounds

(2S)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanoic acid
CID 61155878
(2R)-4-methylsulfanyl-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid
CID 35767047
2-[(4-aminophenyl)sulfonylamino]butanedioic acid
CID 71945726
4-amino-2-[(3-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 43084159
(2S)-4-amino-4-oxo-2-(2-phenylpropylsulfonylamino)butanoic acid
CID 80690279
(2R)-4-amino-2-[[3-(dimethylamino)-4-methylphenyl]sulfonylamino]-4-oxobutanoic acid
CID 167896354
(2R)-2-[(3-acetylphenyl)sulfonylamino]-4-amino-4-oxobutanoic acid
CID 28538089
2-[(4-aminophenyl)sulfonylamino]butanoic acid
CID 71945727
(2R)-4-amino-2-[(3-fluorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 30052010
(2R)-4-amino-2-[(2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 28828867
(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 7061989
2-[(4-butan-2-ylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244774

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-4-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid?
The IUPAC name of (2R)-4-amino-4-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid (CID 104935181) is (2R)-4-amino-4-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid.
What is the SMILES notation for (2R)-4-amino-4-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid?
The canonical SMILES for (2R)-4-amino-4-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid is CC(C)c1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)O)cc1.
What is the InChIKey of (2R)-4-amino-4-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid?
The InChIKey is COGBLOMLMSNRNQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-8(2)9-3-5-10(6-4-9)21(19,20)15-11(13(17)18)7-12(14)16/h3-6,8,11,15H,7H2,1-2H3,(H2,14,16)(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-4-amino-4-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid?
(2R)-4-amino-4-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid has a molecular weight of 314.36 g/mol, XLogP of 0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-4-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid is sourced from PubChem (CID 104935181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).