2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetic acid

C10H14O3 — CID 57339231

IUPAC2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetic acid
SMILESCC1=CC(=O)[C@H](CC(=O)O)C1(C)C
InChIInChI=1S/C10H14O3/c1-6-4-8(11)7(5-9(12)13)10(6,2)3/h4,7H,5H2,1-3H3,(H,12,13)/t7-/m0/s1
InChIKeyUJJNLVMCZZZXFW-ZETCQYMHSA-N
MW182.22 g/mol
LogP1.63
Rot. Bonds2

About 2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetic acid

2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetic acid (PubChem CID 57339231) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetic acid
PubChem CID57339231
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetic acid
SMILESCC1=CC(=O)[C@H](CC(=O)O)C1(C)C
InChIInChI=1S/C10H14O3/c1-6-4-8(11)7(5-9(12)13)10(6,2)3/h4,7H,5H2,1-3H3,(H,12,13)/t7-/m0/s1
InChIKeyUJJNLVMCZZZXFW-ZETCQYMHSA-N
XLogP1.63
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetic acid?
The IUPAC name of 2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetic acid (CID 57339231) is 2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetic acid.
What is the SMILES notation for 2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetic acid?
The canonical SMILES for 2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetic acid is CC1=CC(=O)[C@H](CC(=O)O)C1(C)C.
What is the InChIKey of 2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetic acid?
The InChIKey is UJJNLVMCZZZXFW-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14O3/c1-6-4-8(11)7(5-9(12)13)10(6,2)3/h4,7H,5H2,1-3H3,(H,12,13)/t7-/m0/s1.
What are the key properties of 2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetic acid?
2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetic acid has a molecular weight of 182.22 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetic acid is sourced from PubChem (CID 57339231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).