(2R)-4-cyclohexyl-2-(methanesulfonamido)butanoic acid

C11H21NO4S — CID 59765420

IUPAC(2R)-4-cyclohexyl-2-(methanesulfonamido)butanoic acid
SMILESCS(=O)(=O)N[C@H](CCC1CCCCC1)C(=O)O
InChIInChI=1S/C11H21NO4S/c1-17(15,16)12-10(11(13)14)8-7-9-5-3-2-4-6-9/h9-10,12H,2-8H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyRTXQUBNJWOALEQ-SNVBAGLBSA-N
MW263.36 g/mol
LogP1.35
Rot. Bonds6

About (2R)-4-cyclohexyl-2-(methanesulfonamido)butanoic acid

(2R)-4-cyclohexyl-2-(methanesulfonamido)butanoic acid (PubChem CID 59765420) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is (2R)-4-cyclohexyl-2-(methanesulfonamido)butanoic acid.

Molecular Properties

Compound Name(2R)-4-cyclohexyl-2-(methanesulfonamido)butanoic acid
PubChem CID59765420
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name(2R)-4-cyclohexyl-2-(methanesulfonamido)butanoic acid
SMILESCS(=O)(=O)N[C@H](CCC1CCCCC1)C(=O)O
InChIInChI=1S/C11H21NO4S/c1-17(15,16)12-10(11(13)14)8-7-9-5-3-2-4-6-9/h9-10,12H,2-8H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyRTXQUBNJWOALEQ-SNVBAGLBSA-N
XLogP1.35
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-cyclohexyl-2-(methanesulfonamido)butanoic acid?
The IUPAC name of (2R)-4-cyclohexyl-2-(methanesulfonamido)butanoic acid (CID 59765420) is (2R)-4-cyclohexyl-2-(methanesulfonamido)butanoic acid.
What is the SMILES notation for (2R)-4-cyclohexyl-2-(methanesulfonamido)butanoic acid?
The canonical SMILES for (2R)-4-cyclohexyl-2-(methanesulfonamido)butanoic acid is CS(=O)(=O)N[C@H](CCC1CCCCC1)C(=O)O.
What is the InChIKey of (2R)-4-cyclohexyl-2-(methanesulfonamido)butanoic acid?
The InChIKey is RTXQUBNJWOALEQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-17(15,16)12-10(11(13)14)8-7-9-5-3-2-4-6-9/h9-10,12H,2-8H2,1H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (2R)-4-cyclohexyl-2-(methanesulfonamido)butanoic acid?
(2R)-4-cyclohexyl-2-(methanesulfonamido)butanoic acid has a molecular weight of 263.36 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-cyclohexyl-2-(methanesulfonamido)butanoic acid is sourced from PubChem (CID 59765420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).