(2R)-2-[(4-tert-butylphenyl)sulfonylamino]-4-hydroxybutanoic acid

C14H21NO5S — CID 104933793

IUPAC(2R)-2-[(4-tert-butylphenyl)sulfonylamino]-4-hydroxybutanoic acid
SMILESCC(C)(C)c1ccc(S(=O)(=O)N[C@H](CCO)C(=O)O)cc1
InChIInChI=1S/C14H21NO5S/c1-14(2,3)10-4-6-11(7-5-10)21(19,20)15-12(8-9-16)13(17)18/h4-7,12,15-16H,8-9H2,1-3H3,(H,17,18)/t12-/m1/s1
InChIKeyQIRFGGJBUSWCPL-GFCCVEGCSA-N
MW315.39 g/mol
LogP1.10
Rot. Bonds6

About (2R)-2-[(4-tert-butylphenyl)sulfonylamino]-4-hydroxybutanoic acid

(2R)-2-[(4-tert-butylphenyl)sulfonylamino]-4-hydroxybutanoic acid (PubChem CID 104933793) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is (2R)-2-[(4-tert-butylphenyl)sulfonylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-tert-butylphenyl)sulfonylamino]-4-hydroxybutanoic acid
PubChem CID104933793
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Name(2R)-2-[(4-tert-butylphenyl)sulfonylamino]-4-hydroxybutanoic acid
SMILESCC(C)(C)c1ccc(S(=O)(=O)N[C@H](CCO)C(=O)O)cc1
InChIInChI=1S/C14H21NO5S/c1-14(2,3)10-4-6-11(7-5-10)21(19,20)15-12(8-9-16)13(17)18/h4-7,12,15-16H,8-9H2,1-3H3,(H,17,18)/t12-/m1/s1
InChIKeyQIRFGGJBUSWCPL-GFCCVEGCSA-N
XLogP1.10
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(4-tert-butylphenyl)sulfonylamino]-4-hydroxybutanoic 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

(2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid
CID 93252469
(2S)-4-hydroxy-2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid
CID 104934935
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]butanoic acid
CID 42255460
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 35767120
2,5-bis[(4-tert-butylphenyl)sulfonylamino]pentanoic acid
CID 135183823
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]octanedioic acid
CID 140522092
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 1190229
2-[(4-butan-2-ylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244774
2-[(3,5-dimethylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244974
(2S)-2-amino-3-[(4-tert-butylphenyl)sulfonylamino]butanedioic acid
CID 134135313
2-[(3,4-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244059
(2R)-2-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933822

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-tert-butylphenyl)sulfonylamino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(4-tert-butylphenyl)sulfonylamino]-4-hydroxybutanoic acid (CID 104933793) is (2R)-2-[(4-tert-butylphenyl)sulfonylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(4-tert-butylphenyl)sulfonylamino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(4-tert-butylphenyl)sulfonylamino]-4-hydroxybutanoic acid is CC(C)(C)c1ccc(S(=O)(=O)N[C@H](CCO)C(=O)O)cc1.
What is the InChIKey of (2R)-2-[(4-tert-butylphenyl)sulfonylamino]-4-hydroxybutanoic acid?
The InChIKey is QIRFGGJBUSWCPL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-14(2,3)10-4-6-11(7-5-10)21(19,20)15-12(8-9-16)13(17)18/h4-7,12,15-16H,8-9H2,1-3H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-2-[(4-tert-butylphenyl)sulfonylamino]-4-hydroxybutanoic acid?
(2R)-2-[(4-tert-butylphenyl)sulfonylamino]-4-hydroxybutanoic acid has a molecular weight of 315.39 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-tert-butylphenyl)sulfonylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 104933793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).