2-[1-(2-methoxy-2-oxoethyl)cyclopropyl]acetic acid

C8H12O4 — CID 73052799

IUPAC2-[1-(2-methoxy-2-oxoethyl)cyclopropyl]acetic acid
SMILESCOC(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C8H12O4/c1-12-7(11)5-8(2-3-8)4-6(9)10/h2-5H2,1H3,(H,9,10)
InChIKeyWAWQZYPQMBDLIQ-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.80
Rot. Bonds4

About 2-[1-(2-methoxy-2-oxoethyl)cyclopropyl]acetic acid

2-[1-(2-methoxy-2-oxoethyl)cyclopropyl]acetic acid (PubChem CID 73052799) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-[1-(2-methoxy-2-oxoethyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methoxy-2-oxoethyl)cyclopropyl]acetic acid
PubChem CID73052799
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name2-[1-(2-methoxy-2-oxoethyl)cyclopropyl]acetic acid
SMILESCOC(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C8H12O4/c1-12-7(11)5-8(2-3-8)4-6(9)10/h2-5H2,1H3,(H,9,10)
InChIKeyWAWQZYPQMBDLIQ-UHFFFAOYSA-N
XLogP0.80
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxy-2-oxoethyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(2-methoxy-2-oxoethyl)cyclopropyl]acetic acid (CID 73052799) is 2-[1-(2-methoxy-2-oxoethyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(2-methoxy-2-oxoethyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(2-methoxy-2-oxoethyl)cyclopropyl]acetic acid is COC(=O)CC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(2-methoxy-2-oxoethyl)cyclopropyl]acetic acid?
The InChIKey is WAWQZYPQMBDLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-12-7(11)5-8(2-3-8)4-6(9)10/h2-5H2,1H3,(H,9,10).
What are the key properties of 2-[1-(2-methoxy-2-oxoethyl)cyclopropyl]acetic acid?
2-[1-(2-methoxy-2-oxoethyl)cyclopropyl]acetic acid has a molecular weight of 172.18 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxy-2-oxoethyl)cyclopropyl]acetic acid is sourced from PubChem (CID 73052799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).