2-(2-hydroxyethoxy)-3-methoxypropanoic acid

C6H12O5 — CID 168724097

IUPAC2-(2-hydroxyethoxy)-3-methoxypropanoic acid
SMILESCOCC(OCCO)C(=O)O
InChIInChI=1S/C6H12O5/c1-10-4-5(6(8)9)11-3-2-7/h5,7H,2-4H2,1H3,(H,8,9)
InChIKeyLHYOYMTXFGNPQP-UHFFFAOYSA-N
MW164.16 g/mol
LogP-0.91
Rot. Bonds6

About 2-(2-hydroxyethoxy)-3-methoxypropanoic acid

2-(2-hydroxyethoxy)-3-methoxypropanoic acid (PubChem CID 168724097) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)-3-methoxypropanoic acid
PubChem CID168724097
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name2-(2-hydroxyethoxy)-3-methoxypropanoic acid
SMILESCOCC(OCCO)C(=O)O
InChIInChI=1S/C6H12O5/c1-10-4-5(6(8)9)11-3-2-7/h5,7H,2-4H2,1H3,(H,8,9)
InChIKeyLHYOYMTXFGNPQP-UHFFFAOYSA-N
XLogP-0.91
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-(2-propan-2-yloxyethoxy)propanoic acid
CID 103223987
(2R)-2-aminooxy-3-methoxypropanoic acid
CID 124680851
2-(2-hydroxyethoxy)-4-methylsulfanylbutanoic acid
CID 83224720
3-hydroxy-2-propoxypropanoic acid
CID 87915368
2,3-bis(2-hydroxyethoxy)butanedioic acid
CID 174652716
2-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 18318696
2-[(4-bromophenyl)methoxy]-3-methoxypropanoic acid
CID 103224152
12-hydroxy-2-(2-hydroxyethoxy)octadecanoic acid
CID 175760770
2-(3-hydroxypropoxy)-4-methoxy-4-methylpentanoic acid
CID 106676696
3-methoxy-2-(2-methylbutan-2-yloxy)propanoic acid
CID 103224006
2-[carboxy(2-hydroxyethoxy)methoxy]-2-(2-hydroxyethoxy)acetic acid
CID 118435325
4-hydroxy-2-(2-hydroxyethoxy)butanoate;dihydrate
CID 159686152

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)-3-methoxypropanoic acid?
The IUPAC name of 2-(2-hydroxyethoxy)-3-methoxypropanoic acid (CID 168724097) is 2-(2-hydroxyethoxy)-3-methoxypropanoic acid.
What is the SMILES notation for 2-(2-hydroxyethoxy)-3-methoxypropanoic acid?
The canonical SMILES for 2-(2-hydroxyethoxy)-3-methoxypropanoic acid is COCC(OCCO)C(=O)O.
What is the InChIKey of 2-(2-hydroxyethoxy)-3-methoxypropanoic acid?
The InChIKey is LHYOYMTXFGNPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O5/c1-10-4-5(6(8)9)11-3-2-7/h5,7H,2-4H2,1H3,(H,8,9).
What are the key properties of 2-(2-hydroxyethoxy)-3-methoxypropanoic acid?
2-(2-hydroxyethoxy)-3-methoxypropanoic acid has a molecular weight of 164.16 g/mol, XLogP of -0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)-3-methoxypropanoic acid is sourced from PubChem (CID 168724097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).