(2R)-2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

C13H22O4 — CID 70254387

IUPAC(2R)-2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
SMILESCC(C)(C)OC(=O)C[C@@H](C(=O)O)C1CCCC1
InChIInChI=1S/C13H22O4/c1-13(2,3)17-11(14)8-10(12(15)16)9-6-4-5-7-9/h9-10H,4-8H2,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyBTPDFICSCZKPNK-SNVBAGLBSA-N
MW242.31 g/mol
LogP2.61
Rot. Bonds4

About (2R)-2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

(2R)-2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid (PubChem CID 70254387) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is (2R)-2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
PubChem CID70254387
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name(2R)-2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
SMILESCC(C)(C)OC(=O)C[C@@H](C(=O)O)C1CCCC1
InChIInChI=1S/C13H22O4/c1-13(2,3)17-11(14)8-10(12(15)16)9-6-4-5-7-9/h9-10H,4-8H2,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyBTPDFICSCZKPNK-SNVBAGLBSA-N
XLogP2.61
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
The IUPAC name of (2R)-2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid (CID 70254387) is (2R)-2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
The canonical SMILES for (2R)-2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid is CC(C)(C)OC(=O)C[C@@H](C(=O)O)C1CCCC1.
What is the InChIKey of (2R)-2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
The InChIKey is BTPDFICSCZKPNK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22O4/c1-13(2,3)17-11(14)8-10(12(15)16)9-6-4-5-7-9/h9-10H,4-8H2,1-3H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
(2R)-2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid has a molecular weight of 242.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid is sourced from PubChem (CID 70254387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).