2,2-dimethyl-3-(2-methylcyclopropanecarbonyl)oxypropanoic acid

C10H16O4 — CID 59815674

IUPAC2,2-dimethyl-3-(2-methylcyclopropanecarbonyl)oxypropanoic acid
SMILESCC1CC1C(=O)OCC(C)(C)C(=O)O
InChIInChI=1S/C10H16O4/c1-6-4-7(6)8(11)14-5-10(2,3)9(12)13/h6-7H,4-5H2,1-3H3,(H,12,13)
InChIKeyNAQIKMIYCOJNNI-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.30
Rot. Bonds4

About 2,2-dimethyl-3-(2-methylcyclopropanecarbonyl)oxypropanoic acid

2,2-dimethyl-3-(2-methylcyclopropanecarbonyl)oxypropanoic acid (PubChem CID 59815674) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylcyclopropanecarbonyl)oxypropanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylcyclopropanecarbonyl)oxypropanoic acid
PubChem CID59815674
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2,2-dimethyl-3-(2-methylcyclopropanecarbonyl)oxypropanoic acid
SMILESCC1CC1C(=O)OCC(C)(C)C(=O)O
InChIInChI=1S/C10H16O4/c1-6-4-7(6)8(11)14-5-10(2,3)9(12)13/h6-7H,4-5H2,1-3H3,(H,12,13)
InChIKeyNAQIKMIYCOJNNI-UHFFFAOYSA-N
XLogP1.30
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxycarbonylcyclobutane-1-carboxylic acid
CID 19889622
trans-propyl (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 93032108
6-[3-(6-carboxycyclohex-3-ene-1-carbonyl)oxy-2,2-dimethylpropoxy]carbonylcyclohex-3-ene-1-carboxylic acid
CID 20841611
cis-[(1R,2R)-2-methylcyclopropanecarbonyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 124835796
2,2-dimethyl-3-(2-methylcyclohexyl)oxypropanoic acid
CID 79622008
2-(2-methylcyclopropanecarbonyl)oxypropyl 2-methylcyclopropane-1-carboxylate
CID 118199278
[(1S,3R,4S)-3-ethoxycarbonyl-4-methylcyclopentyl]azanium
CID 176725428
3-butanoyloxy-2,2-dimethylpropanoic acid
CID 54315493
ethyl 5-hydroxy-2-methylcyclohexane-1-carboxylate
CID 22614095
3-(2,2-dimethylpropoxy)-2,2-dimethylpropanoic acid
CID 89019096
(2S)-2-methylcyclopropane-1-carboxylic acid
CID 70278837
trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid
CID 6995705

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylcyclopropanecarbonyl)oxypropanoic acid?
The IUPAC name of 2,2-dimethyl-3-(2-methylcyclopropanecarbonyl)oxypropanoic acid (CID 59815674) is 2,2-dimethyl-3-(2-methylcyclopropanecarbonyl)oxypropanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylcyclopropanecarbonyl)oxypropanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(2-methylcyclopropanecarbonyl)oxypropanoic acid is CC1CC1C(=O)OCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(2-methylcyclopropanecarbonyl)oxypropanoic acid?
The InChIKey is NAQIKMIYCOJNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-6-4-7(6)8(11)14-5-10(2,3)9(12)13/h6-7H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 2,2-dimethyl-3-(2-methylcyclopropanecarbonyl)oxypropanoic acid?
2,2-dimethyl-3-(2-methylcyclopropanecarbonyl)oxypropanoic acid has a molecular weight of 200.23 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylcyclopropanecarbonyl)oxypropanoic acid is sourced from PubChem (CID 59815674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).