2-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid

C10H16O4 — CID 122156837

IUPAC2-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
SMILESCC(C)(C)OC(=O)C(C(=O)O)C1CC1
InChIInChI=1S/C10H16O4/c1-10(2,3)14-9(13)7(8(11)12)6-4-5-6/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeySFJNIGJEGNLHBQ-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.44
Rot. Bonds3

About 2-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid

2-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid (PubChem CID 122156837) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
PubChem CID122156837
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
SMILESCC(C)(C)OC(=O)C(C(=O)O)C1CC1
InChIInChI=1S/C10H16O4/c1-10(2,3)14-9(13)7(8(11)12)6-4-5-6/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeySFJNIGJEGNLHBQ-UHFFFAOYSA-N
XLogP1.44
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid?
The IUPAC name of 2-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid (CID 122156837) is 2-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid?
The canonical SMILES for 2-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid is CC(C)(C)OC(=O)C(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid?
The InChIKey is SFJNIGJEGNLHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-10(2,3)14-9(13)7(8(11)12)6-4-5-6/h6-7H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 2-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid?
2-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid has a molecular weight of 200.23 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid is sourced from PubChem (CID 122156837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).