(2R)-2-methoxycarbonyl-2-(methoxymethoxy)butanoic acid

C8H14O6 — CID 131850045

IUPAC(2R)-2-methoxycarbonyl-2-(methoxymethoxy)butanoic acid
SMILESCC[C@@](OCOC)(C(=O)O)C(=O)OC
InChIInChI=1S/C8H14O6/c1-4-8(6(9)10,7(11)13-3)14-5-12-2/h4-5H2,1-3H3,(H,9,10)/t8-/m1/s1
InChIKeyHRLZDNKPEVWCED-MRVPVSSYSA-N
MW206.19 g/mol
LogP0.01
Rot. Bonds6

About (2R)-2-methoxycarbonyl-2-(methoxymethoxy)butanoic acid

(2R)-2-methoxycarbonyl-2-(methoxymethoxy)butanoic acid (PubChem CID 131850045) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is (2R)-2-methoxycarbonyl-2-(methoxymethoxy)butanoic acid.

Molecular Properties

Compound Name(2R)-2-methoxycarbonyl-2-(methoxymethoxy)butanoic acid
PubChem CID131850045
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Name(2R)-2-methoxycarbonyl-2-(methoxymethoxy)butanoic acid
SMILESCC[C@@](OCOC)(C(=O)O)C(=O)OC
InChIInChI=1S/C8H14O6/c1-4-8(6(9)10,7(11)13-3)14-5-12-2/h4-5H2,1-3H3,(H,9,10)/t8-/m1/s1
InChIKeyHRLZDNKPEVWCED-MRVPVSSYSA-N
XLogP0.01
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-ethoxy-2-ethyl-3-oxobutanoate
CID 174889693
2,2,3-triethyl-3-methoxycarbonylpentanoic acid
CID 171384079
2-ethyl-2-prop-2-enoyloxypropanedioic acid
CID 174894826
2-(difluoromethyl)-2-methoxycarbonylbutanoic acid
CID 175694660
methane;methyl 2-ethyl-2,3,3-trimethylpentanoate
CID 161314197
methoxymethyl 2,2-dimethylbutanoate
CID 18731138
methane;methyl 2,2-dimethylbutanoate
CID 161256043
2-ethyl-5-methoxy-2,4,4-trimethyl-5-oxopentanoic acid;methane
CID 159489060
2,2-diethyl-3-(methoxymethoxy)-3-(methoxymethyl)pentanedioic acid
CID 87220292
3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropanoic acid
CID 157318705
alumane;2-ethyl-2-(2-methylpropoxy)-3-oxobutanoic acid
CID 175257771
methyl 2-ethyl-2,3-dimethylpentanoate
CID 23269301

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxycarbonyl-2-(methoxymethoxy)butanoic acid?
The IUPAC name of (2R)-2-methoxycarbonyl-2-(methoxymethoxy)butanoic acid (CID 131850045) is (2R)-2-methoxycarbonyl-2-(methoxymethoxy)butanoic acid.
What is the SMILES notation for (2R)-2-methoxycarbonyl-2-(methoxymethoxy)butanoic acid?
The canonical SMILES for (2R)-2-methoxycarbonyl-2-(methoxymethoxy)butanoic acid is CC[C@@](OCOC)(C(=O)O)C(=O)OC.
What is the InChIKey of (2R)-2-methoxycarbonyl-2-(methoxymethoxy)butanoic acid?
The InChIKey is HRLZDNKPEVWCED-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14O6/c1-4-8(6(9)10,7(11)13-3)14-5-12-2/h4-5H2,1-3H3,(H,9,10)/t8-/m1/s1.
What are the key properties of (2R)-2-methoxycarbonyl-2-(methoxymethoxy)butanoic acid?
(2R)-2-methoxycarbonyl-2-(methoxymethoxy)butanoic acid has a molecular weight of 206.19 g/mol, XLogP of 0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxycarbonyl-2-(methoxymethoxy)butanoic acid is sourced from PubChem (CID 131850045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).