2-(cyclohexylmethylsulfonylamino)-4-hydroxybutanoic acid

C11H21NO5S — CID 54947785

IUPAC2-(cyclohexylmethylsulfonylamino)-4-hydroxybutanoic acid
SMILESO=C(O)C(CCO)NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C11H21NO5S/c13-7-6-10(11(14)15)12-18(16,17)8-9-4-2-1-3-5-9/h9-10,12-13H,1-8H2,(H,14,15)
InChIKeyLNLKOCVQLOMZED-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.32
Rot. Bonds7

About 2-(cyclohexylmethylsulfonylamino)-4-hydroxybutanoic acid

2-(cyclohexylmethylsulfonylamino)-4-hydroxybutanoic acid (PubChem CID 54947785) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-(cyclohexylmethylsulfonylamino)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-(cyclohexylmethylsulfonylamino)-4-hydroxybutanoic acid
PubChem CID54947785
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Name2-(cyclohexylmethylsulfonylamino)-4-hydroxybutanoic acid
SMILESO=C(O)C(CCO)NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C11H21NO5S/c13-7-6-10(11(14)15)12-18(16,17)8-9-4-2-1-3-5-9/h9-10,12-13H,1-8H2,(H,14,15)
InChIKeyLNLKOCVQLOMZED-UHFFFAOYSA-N
XLogP0.32
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclohexylmethylsulfonylamino)pentanedioic acid
CID 61453777
2-(cyclopropylmethylsulfonylamino)-4-methylsulfanylbutanoic acid
CID 64987474
(2S)-2-(cyclohexylmethylsulfonylamino)-3,3-dimethylbutanoic acid
CID 61454161
1-cyclohexyl-N-[(2R)-1-hydroxypropan-2-yl]methanesulfonamide
CID 64722343
2-cyclohexyl-2-(cyclopropylmethylsulfonylamino)acetic acid
CID 64987369
2-(cyclopropylmethylsulfonylamino)-3-methoxypropanoic acid
CID 81078657
(2R)-4-cyclohexyl-2-(methanesulfonamido)butanoic acid
CID 59765420
5-(cyclohexylmethylsulfonylamino)-2-methylpentanoic acid
CID 104682974
(2S)-4-hydroxy-2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 104935080
(2S)-2-(cyclopentylmethylcarbamoylamino)-4-hydroxybutanoic acid
CID 107826145
3-cyclobutyl-2-(oxan-2-ylmethylsulfonylamino)propanoic acid
CID 146127666
(2S)-2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
CID 107822267

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylsulfonylamino)-4-hydroxybutanoic acid?
The IUPAC name of 2-(cyclohexylmethylsulfonylamino)-4-hydroxybutanoic acid (CID 54947785) is 2-(cyclohexylmethylsulfonylamino)-4-hydroxybutanoic acid.
What is the SMILES notation for 2-(cyclohexylmethylsulfonylamino)-4-hydroxybutanoic acid?
The canonical SMILES for 2-(cyclohexylmethylsulfonylamino)-4-hydroxybutanoic acid is O=C(O)C(CCO)NS(=O)(=O)CC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethylsulfonylamino)-4-hydroxybutanoic acid?
The InChIKey is LNLKOCVQLOMZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c13-7-6-10(11(14)15)12-18(16,17)8-9-4-2-1-3-5-9/h9-10,12-13H,1-8H2,(H,14,15).
What are the key properties of 2-(cyclohexylmethylsulfonylamino)-4-hydroxybutanoic acid?
2-(cyclohexylmethylsulfonylamino)-4-hydroxybutanoic acid has a molecular weight of 279.36 g/mol, XLogP of 0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylsulfonylamino)-4-hydroxybutanoic acid is sourced from PubChem (CID 54947785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).