2-[(1S,3R)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetic acid

C14H24O4 — CID 58626989

IUPAC2-[(1S,3R)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetic acid
SMILESC[C@@H]1CC[C@](CC(=O)O)(CC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H24O4/c1-10-5-6-14(7-10,8-11(15)16)9-12(17)18-13(2,3)4/h10H,5-9H2,1-4H3,(H,15,16)/t10-,14+/m1/s1
InChIKeySMWBHPMKBRMOIM-YGRLFVJLSA-N
MW256.34 g/mol
LogP3.00
Rot. Bonds4

About 2-[(1S,3R)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetic acid

2-[(1S,3R)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 58626989) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-[(1S,3R)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,3R)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID58626989
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name2-[(1S,3R)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetic acid
SMILESC[C@@H]1CC[C@](CC(=O)O)(CC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H24O4/c1-10-5-6-14(7-10,8-11(15)16)9-12(17)18-13(2,3)4/h10H,5-9H2,1-4H3,(H,15,16)/t10-,14+/m1/s1
InChIKeySMWBHPMKBRMOIM-YGRLFVJLSA-N
XLogP3.00
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3R)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[(1S,3R)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetic acid (CID 58626989) is 2-[(1S,3R)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1S,3R)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[(1S,3R)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetic acid is C[C@@H]1CC[C@](CC(=O)O)(CC(=O)OC(C)(C)C)C1.
What is the InChIKey of 2-[(1S,3R)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is SMWBHPMKBRMOIM-YGRLFVJLSA-N. The full InChI is InChI=1S/C14H24O4/c1-10-5-6-14(7-10,8-11(15)16)9-12(17)18-13(2,3)4/h10H,5-9H2,1-4H3,(H,15,16)/t10-,14+/m1/s1.
What are the key properties of 2-[(1S,3R)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetic acid?
2-[(1S,3R)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 256.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3R)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 58626989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).