2-(2,2,3-trimethyl-4-oxocyclopentyl)acetic acid

C10H16O3 — CID 57455196

IUPAC2-(2,2,3-trimethyl-4-oxocyclopentyl)acetic acid
SMILESCC1C(=O)CC(CC(=O)O)C1(C)C
InChIInChI=1S/C10H16O3/c1-6-8(11)4-7(5-9(12)13)10(6,2)3/h6-7H,4-5H2,1-3H3,(H,12,13)
InChIKeyVRCGDJCVKWWRME-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.71
Rot. Bonds2

About 2-(2,2,3-trimethyl-4-oxocyclopentyl)acetic acid

2-(2,2,3-trimethyl-4-oxocyclopentyl)acetic acid (PubChem CID 57455196) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-(2,2,3-trimethyl-4-oxocyclopentyl)acetic acid.

Molecular Properties

Compound Name2-(2,2,3-trimethyl-4-oxocyclopentyl)acetic acid
PubChem CID57455196
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-(2,2,3-trimethyl-4-oxocyclopentyl)acetic acid
SMILESCC1C(=O)CC(CC(=O)O)C1(C)C
InChIInChI=1S/C10H16O3/c1-6-8(11)4-7(5-9(12)13)10(6,2)3/h6-7H,4-5H2,1-3H3,(H,12,13)
InChIKeyVRCGDJCVKWWRME-UHFFFAOYSA-N
XLogP1.71
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3-trimethyl-4-oxocyclopentyl)acetic acid?
The IUPAC name of 2-(2,2,3-trimethyl-4-oxocyclopentyl)acetic acid (CID 57455196) is 2-(2,2,3-trimethyl-4-oxocyclopentyl)acetic acid.
What is the SMILES notation for 2-(2,2,3-trimethyl-4-oxocyclopentyl)acetic acid?
The canonical SMILES for 2-(2,2,3-trimethyl-4-oxocyclopentyl)acetic acid is CC1C(=O)CC(CC(=O)O)C1(C)C.
What is the InChIKey of 2-(2,2,3-trimethyl-4-oxocyclopentyl)acetic acid?
The InChIKey is VRCGDJCVKWWRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-6-8(11)4-7(5-9(12)13)10(6,2)3/h6-7H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 2-(2,2,3-trimethyl-4-oxocyclopentyl)acetic acid?
2-(2,2,3-trimethyl-4-oxocyclopentyl)acetic acid has a molecular weight of 184.23 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3-trimethyl-4-oxocyclopentyl)acetic acid is sourced from PubChem (CID 57455196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).