2-cyclopropyl-2,3-dimethoxypropanoic acid

C8H14O4 — CID 116769537

IUPAC2-cyclopropyl-2,3-dimethoxypropanoic acid
SMILESCOCC(OC)(C(=O)O)C1CC1
InChIInChI=1S/C8H14O4/c1-11-5-8(12-2,7(9)10)6-3-4-6/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeySMZLYUCPGOPNER-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.51
Rot. Bonds5

About 2-cyclopropyl-2,3-dimethoxypropanoic acid

2-cyclopropyl-2,3-dimethoxypropanoic acid (PubChem CID 116769537) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-cyclopropyl-2,3-dimethoxypropanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2,3-dimethoxypropanoic acid
PubChem CID116769537
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2-cyclopropyl-2,3-dimethoxypropanoic acid
SMILESCOCC(OC)(C(=O)O)C1CC1
InChIInChI=1S/C8H14O4/c1-11-5-8(12-2,7(9)10)6-3-4-6/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeySMZLYUCPGOPNER-UHFFFAOYSA-N
XLogP0.51
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoic acid
CID 23202697
2,3-dihydroxy-2,3-bis(methoxymethyl)butanedioic acid
CID 22399558
2-[cycloheptyl(methyl)amino]-3-methoxy-2-methylpropanoic acid
CID 115002428
2-cyclobutyloxy-3-methoxy-2-methylpropanoic acid
CID 114997758
1-chloro-4-[2-(4-chlorocyclohexyl)-1,3-dimethoxypropan-2-yl]cyclohexane
CID 19985403
methyl 2-cyclohexyl-2-(methoxymethyl)-3-methylbutanoate
CID 66831106
1-amino-2-cyclopropyl-3-methoxypropan-2-ol
CID 64813573
2-cyclopentyl-2-methoxypropanoic acid
CID 83827283
2,2-dicyclopropylbutanoic acid
CID 139618787
tert-butylcyclopropane;1-methoxy-2,2-dimethylpropane
CID 161123369
(1,3-dimethoxy-2-methylpropan-2-yl)cyclopentane
CID 89106500
2-tert-butyl-2-(methoxymethyl)propanedioic acid
CID 56990519

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2,3-dimethoxypropanoic acid?
The IUPAC name of 2-cyclopropyl-2,3-dimethoxypropanoic acid (CID 116769537) is 2-cyclopropyl-2,3-dimethoxypropanoic acid.
What is the SMILES notation for 2-cyclopropyl-2,3-dimethoxypropanoic acid?
The canonical SMILES for 2-cyclopropyl-2,3-dimethoxypropanoic acid is COCC(OC)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2,3-dimethoxypropanoic acid?
The InChIKey is SMZLYUCPGOPNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-11-5-8(12-2,7(9)10)6-3-4-6/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 2-cyclopropyl-2,3-dimethoxypropanoic acid?
2-cyclopropyl-2,3-dimethoxypropanoic acid has a molecular weight of 174.20 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2,3-dimethoxypropanoic acid is sourced from PubChem (CID 116769537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).