2-(carboxymethoxymethoxy)-3-hydroxypropanoic acid

C6H10O7 — CID 71363690

IUPAC2-(carboxymethoxymethoxy)-3-hydroxypropanoic acid
SMILESO=C(O)COCOC(CO)C(=O)O
InChIInChI=1S/C6H10O7/c7-1-4(6(10)11)13-3-12-2-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)
InChIKeyRFCAISSLIANIPQ-UHFFFAOYSA-N
MW194.14 g/mol
LogP-1.49
Rot. Bonds7

About 2-(carboxymethoxymethoxy)-3-hydroxypropanoic acid

2-(carboxymethoxymethoxy)-3-hydroxypropanoic acid (PubChem CID 71363690) has the molecular formula C6H10O7 and a molecular weight of 194.14 g/mol. Its IUPAC name is 2-(carboxymethoxymethoxy)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-(carboxymethoxymethoxy)-3-hydroxypropanoic acid
PubChem CID71363690
Molecular FormulaC6H10O7
Molecular Weight194.14 g/mol
Exact Mass194.04
IUPAC Name2-(carboxymethoxymethoxy)-3-hydroxypropanoic acid
SMILESO=C(O)COCOC(CO)C(=O)O
InChIInChI=1S/C6H10O7/c7-1-4(6(10)11)13-3-12-2-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)
InChIKeyRFCAISSLIANIPQ-UHFFFAOYSA-N
XLogP-1.49
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethoxymethoxy)-3-hydroxypropanoic acid?
The IUPAC name of 2-(carboxymethoxymethoxy)-3-hydroxypropanoic acid (CID 71363690) is 2-(carboxymethoxymethoxy)-3-hydroxypropanoic acid.
What is the SMILES notation for 2-(carboxymethoxymethoxy)-3-hydroxypropanoic acid?
The canonical SMILES for 2-(carboxymethoxymethoxy)-3-hydroxypropanoic acid is O=C(O)COCOC(CO)C(=O)O.
What is the InChIKey of 2-(carboxymethoxymethoxy)-3-hydroxypropanoic acid?
The InChIKey is RFCAISSLIANIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O7/c7-1-4(6(10)11)13-3-12-2-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11).
What are the key properties of 2-(carboxymethoxymethoxy)-3-hydroxypropanoic acid?
2-(carboxymethoxymethoxy)-3-hydroxypropanoic acid has a molecular weight of 194.14 g/mol, XLogP of -1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethoxymethoxy)-3-hydroxypropanoic acid is sourced from PubChem (CID 71363690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).