(2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoic acid

C20H24O5S — CID 59570882

IUPAC(2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoic acid
SMILESO=C1CC[C@H](C[C@@H](C(=O)O)c2ccc(S(=O)(=O)C3CC3)c(C3CC3)c2)C1
InChIInChI=1S/C20H24O5S/c21-15-5-1-12(9-15)10-18(20(22)23)14-4-8-19(17(11-14)13-2-3-13)26(24,25)16-6-7-16/h4,8,11-13,16,18H,1-3,5-7,9-10H2,(H,22,23)/t12-,18+/m0/s1
InChIKeyVBUGSZRIYKRWJE-KPZWWZAWSA-N
MW376.47 g/mol
LogP3.43
Rot. Bonds7

About (2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoic acid

(2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoic acid (PubChem CID 59570882) has the molecular formula C20H24O5S and a molecular weight of 376.47 g/mol. Its IUPAC name is (2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoic acid
PubChem CID59570882
Molecular FormulaC20H24O5S
Molecular Weight376.47 g/mol
Exact Mass376.13
IUPAC Name(2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoic acid
SMILESO=C1CC[C@H](C[C@@H](C(=O)O)c2ccc(S(=O)(=O)C3CC3)c(C3CC3)c2)C1
InChIInChI=1S/C20H24O5S/c21-15-5-1-12(9-15)10-18(20(22)23)14-4-8-19(17(11-14)13-2-3-13)26(24,25)16-6-7-16/h4,8,11-13,16,18H,1-3,5-7,9-10H2,(H,22,23)/t12-,18+/m0/s1
InChIKeyVBUGSZRIYKRWJE-KPZWWZAWSA-N
XLogP3.43
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoic acid?
The IUPAC name of (2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoic acid (CID 59570882) is (2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoic acid.
What is the SMILES notation for (2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoic acid?
The canonical SMILES for (2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoic acid is O=C1CC[C@H](C[C@@H](C(=O)O)c2ccc(S(=O)(=O)C3CC3)c(C3CC3)c2)C1.
What is the InChIKey of (2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoic acid?
The InChIKey is VBUGSZRIYKRWJE-KPZWWZAWSA-N. The full InChI is InChI=1S/C20H24O5S/c21-15-5-1-12(9-15)10-18(20(22)23)14-4-8-19(17(11-14)13-2-3-13)26(24,25)16-6-7-16/h4,8,11-13,16,18H,1-3,5-7,9-10H2,(H,22,23)/t12-,18+/m0/s1.
What are the key properties of (2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoic acid?
(2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoic acid has a molecular weight of 376.47 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoic acid is sourced from PubChem (CID 59570882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).