2-[(1R)-2-methylidene-3-oxocyclopentyl]acetic acid

C8H10O3 — CID 132555561

IUPAC2-[(1R)-2-methylidene-3-oxocyclopentyl]acetic acid
SMILESC=C1C(=O)CC[C@@H]1CC(=O)O
InChIInChI=1S/C8H10O3/c1-5-6(4-8(10)11)2-3-7(5)9/h6H,1-4H2,(H,10,11)/t6-/m1/s1
InChIKeyAVJKHAVWFKQXPI-ZCFIWIBFSA-N
MW154.16 g/mol
LogP1.00
Rot. Bonds2

About 2-[(1R)-2-methylidene-3-oxocyclopentyl]acetic acid

2-[(1R)-2-methylidene-3-oxocyclopentyl]acetic acid (PubChem CID 132555561) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-[(1R)-2-methylidene-3-oxocyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1R)-2-methylidene-3-oxocyclopentyl]acetic acid
PubChem CID132555561
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name2-[(1R)-2-methylidene-3-oxocyclopentyl]acetic acid
SMILESC=C1C(=O)CC[C@@H]1CC(=O)O
InChIInChI=1S/C8H10O3/c1-5-6(4-8(10)11)2-3-7(5)9/h6H,1-4H2,(H,10,11)/t6-/m1/s1
InChIKeyAVJKHAVWFKQXPI-ZCFIWIBFSA-N
XLogP1.00
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-methylidene-3-oxocyclopentyl]acetic acid?
The IUPAC name of 2-[(1R)-2-methylidene-3-oxocyclopentyl]acetic acid (CID 132555561) is 2-[(1R)-2-methylidene-3-oxocyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1R)-2-methylidene-3-oxocyclopentyl]acetic acid?
The canonical SMILES for 2-[(1R)-2-methylidene-3-oxocyclopentyl]acetic acid is C=C1C(=O)CC[C@@H]1CC(=O)O.
What is the InChIKey of 2-[(1R)-2-methylidene-3-oxocyclopentyl]acetic acid?
The InChIKey is AVJKHAVWFKQXPI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H10O3/c1-5-6(4-8(10)11)2-3-7(5)9/h6H,1-4H2,(H,10,11)/t6-/m1/s1.
What are the key properties of 2-[(1R)-2-methylidene-3-oxocyclopentyl]acetic acid?
2-[(1R)-2-methylidene-3-oxocyclopentyl]acetic acid has a molecular weight of 154.16 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-methylidene-3-oxocyclopentyl]acetic acid is sourced from PubChem (CID 132555561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).