(2R)-2-benzyl-3-cyclopentylsulfonylpropanoic acid

C15H20O4S — CID 70042676

IUPAC(2R)-2-benzyl-3-cyclopentylsulfonylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)CS(=O)(=O)C1CCCC1
InChIInChI=1S/C15H20O4S/c16-15(17)13(10-12-6-2-1-3-7-12)11-20(18,19)14-8-4-5-9-14/h1-3,6-7,13-14H,4-5,8-11H2,(H,16,17)/t13-/m0/s1
InChIKeyUEOSAYQPFHZSFD-ZDUSSCGKSA-N
MW296.39 g/mol
LogP2.29
Rot. Bonds6

About (2R)-2-benzyl-3-cyclopentylsulfonylpropanoic acid

(2R)-2-benzyl-3-cyclopentylsulfonylpropanoic acid (PubChem CID 70042676) has the molecular formula C15H20O4S and a molecular weight of 296.39 g/mol. Its IUPAC name is (2R)-2-benzyl-3-cyclopentylsulfonylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-benzyl-3-cyclopentylsulfonylpropanoic acid
PubChem CID70042676
Molecular FormulaC15H20O4S
Molecular Weight296.39 g/mol
Exact Mass296.11
IUPAC Name(2R)-2-benzyl-3-cyclopentylsulfonylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)CS(=O)(=O)C1CCCC1
InChIInChI=1S/C15H20O4S/c16-15(17)13(10-12-6-2-1-3-7-12)11-20(18,19)14-8-4-5-9-14/h1-3,6-7,13-14H,4-5,8-11H2,(H,16,17)/t13-/m0/s1
InChIKeyUEOSAYQPFHZSFD-ZDUSSCGKSA-N
XLogP2.29
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-benzyl-3-cyclohexylsulfonylpropanoic acid
CID 67853712
(2R)-2-(cyclohexylsulfonylamino)-3-phenylpropanoic acid
CID 104901982
2-(cyclopentylmethylsulfonyl)-3-phenylpropanoic acid
CID 61342443
(2S)-2-benzyl-4-(cyclohexylamino)-4-oxobutanoic acid
CID 829380
(2S)-4-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoic acid;hydrate
CID 67758547
2-benzyl-3-[(2-cyclopentylacetyl)amino]propanoic acid
CID 119233645
(2S)-2-benzyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid
CID 11470323
2-benzyl-3-[2-(diethylamino)ethylsulfonyl]propanoic acid
CID 15296673
2-benzyl-3-(oxolan-2-yl)propanoic acid
CID 44719068
2-benzyl-3-iodopropanoic acid
CID 1542
azane;2-benzyl-3-hydroxypropanoic acid
CID 70116076
2-[2-(cyclopentylsulfonylmethyl)phenyl]acetic acid
CID 113314460

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-3-cyclopentylsulfonylpropanoic acid?
The IUPAC name of (2R)-2-benzyl-3-cyclopentylsulfonylpropanoic acid (CID 70042676) is (2R)-2-benzyl-3-cyclopentylsulfonylpropanoic acid.
What is the SMILES notation for (2R)-2-benzyl-3-cyclopentylsulfonylpropanoic acid?
The canonical SMILES for (2R)-2-benzyl-3-cyclopentylsulfonylpropanoic acid is O=C(O)[C@@H](Cc1ccccc1)CS(=O)(=O)C1CCCC1.
What is the InChIKey of (2R)-2-benzyl-3-cyclopentylsulfonylpropanoic acid?
The InChIKey is UEOSAYQPFHZSFD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20O4S/c16-15(17)13(10-12-6-2-1-3-7-12)11-20(18,19)14-8-4-5-9-14/h1-3,6-7,13-14H,4-5,8-11H2,(H,16,17)/t13-/m0/s1.
What are the key properties of (2R)-2-benzyl-3-cyclopentylsulfonylpropanoic acid?
(2R)-2-benzyl-3-cyclopentylsulfonylpropanoic acid has a molecular weight of 296.39 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-3-cyclopentylsulfonylpropanoic acid is sourced from PubChem (CID 70042676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).