2-[(1-hydroxy-1-thiophen-2-ylbutan-2-yl)amino]hexanoic acid

C14H23NO3S — CID 82314525

IUPAC2-[(1-hydroxy-1-thiophen-2-ylbutan-2-yl)amino]hexanoic acid
SMILESCCCCC(NC(CC)C(O)c1cccs1)C(=O)O
InChIInChI=1S/C14H23NO3S/c1-3-5-7-11(14(17)18)15-10(4-2)13(16)12-8-6-9-19-12/h6,8-11,13,15-16H,3-5,7H2,1-2H3,(H,17,18)
InChIKeySEWWHQLGXRHSNL-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.79
Rot. Bonds9

About 2-[(1-hydroxy-1-thiophen-2-ylbutan-2-yl)amino]hexanoic acid

2-[(1-hydroxy-1-thiophen-2-ylbutan-2-yl)amino]hexanoic acid (PubChem CID 82314525) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-[(1-hydroxy-1-thiophen-2-ylbutan-2-yl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(1-hydroxy-1-thiophen-2-ylbutan-2-yl)amino]hexanoic acid
PubChem CID82314525
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name2-[(1-hydroxy-1-thiophen-2-ylbutan-2-yl)amino]hexanoic acid
SMILESCCCCC(NC(CC)C(O)c1cccs1)C(=O)O
InChIInChI=1S/C14H23NO3S/c1-3-5-7-11(14(17)18)15-10(4-2)13(16)12-8-6-9-19-12/h6,8-11,13,15-16H,3-5,7H2,1-2H3,(H,17,18)
InChIKeySEWWHQLGXRHSNL-UHFFFAOYSA-N
XLogP2.79
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(1-hydroxy-1-thiophen-2-ylbutan-2-yl)amino]hexanoic 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

2-ethyl-1-thiophen-2-ylhexan-1-ol
CID 61087313
4-[(1-hydroxy-1-thiophen-2-ylbutan-2-yl)amino]butanoic acid
CID 82314515
(2S)-2-[[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]amino]hexanoic acid
CID 120615623
2-(1-carboxypentylamino)hexanoic acid
CID 22643835
2-[[phenyl(thiophen-2-yl)methyl]amino]butanoic acid
CID 115352761
(2S)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]hexanoic acid
CID 93031840
(2S)-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]hexanoic acid
CID 107144518
2-thiophen-2-ylhexanehydrazide
CID 174523282
2-(1-phenylpropan-2-ylamino)hexanoic acid
CID 103250487
2-[3-(thiophene-2-carbonylamino)propanoylamino]hexanoic acid
CID 43469860
2-(thiophene-2-carbonyl)hexanoic acid
CID 69343472
2-(1-phenylpentan-2-ylamino)hexanoic acid
CID 122039601

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-1-thiophen-2-ylbutan-2-yl)amino]hexanoic acid?
The IUPAC name of 2-[(1-hydroxy-1-thiophen-2-ylbutan-2-yl)amino]hexanoic acid (CID 82314525) is 2-[(1-hydroxy-1-thiophen-2-ylbutan-2-yl)amino]hexanoic acid.
What is the SMILES notation for 2-[(1-hydroxy-1-thiophen-2-ylbutan-2-yl)amino]hexanoic acid?
The canonical SMILES for 2-[(1-hydroxy-1-thiophen-2-ylbutan-2-yl)amino]hexanoic acid is CCCCC(NC(CC)C(O)c1cccs1)C(=O)O.
What is the InChIKey of 2-[(1-hydroxy-1-thiophen-2-ylbutan-2-yl)amino]hexanoic acid?
The InChIKey is SEWWHQLGXRHSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-3-5-7-11(14(17)18)15-10(4-2)13(16)12-8-6-9-19-12/h6,8-11,13,15-16H,3-5,7H2,1-2H3,(H,17,18).
What are the key properties of 2-[(1-hydroxy-1-thiophen-2-ylbutan-2-yl)amino]hexanoic acid?
2-[(1-hydroxy-1-thiophen-2-ylbutan-2-yl)amino]hexanoic acid has a molecular weight of 285.41 g/mol, XLogP of 2.79, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-1-thiophen-2-ylbutan-2-yl)amino]hexanoic acid is sourced from PubChem (CID 82314525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).