3-(carboxymethoxy)-3-hydroxypropanoic acid

C5H8O6 — CID 173213514

IUPAC3-(carboxymethoxy)-3-hydroxypropanoic acid
SMILESO=C(O)COC(O)CC(=O)O
InChIInChI=1S/C5H8O6/c6-3(7)1-5(10)11-2-4(8)9/h5,10H,1-2H2,(H,6,7)(H,8,9)
InChIKeyNMLZZCIMVCSOLH-UHFFFAOYSA-N
MW164.11 g/mol
LogP-1.12
Rot. Bonds5

About 3-(carboxymethoxy)-3-hydroxypropanoic acid

3-(carboxymethoxy)-3-hydroxypropanoic acid (PubChem CID 173213514) has the molecular formula C5H8O6 and a molecular weight of 164.11 g/mol. Its IUPAC name is 3-(carboxymethoxy)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(carboxymethoxy)-3-hydroxypropanoic acid
PubChem CID173213514
Molecular FormulaC5H8O6
Molecular Weight164.11 g/mol
Exact Mass164.03
IUPAC Name3-(carboxymethoxy)-3-hydroxypropanoic acid
SMILESO=C(O)COC(O)CC(=O)O
InChIInChI=1S/C5H8O6/c6-3(7)1-5(10)11-2-4(8)9/h5,10H,1-2H2,(H,6,7)(H,8,9)
InChIKeyNMLZZCIMVCSOLH-UHFFFAOYSA-N
XLogP-1.12
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.11
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 159903683
CID 159903683
trisodium;2-(carboxymethoxy)butanedioic acid;hydride
CID 173014091
1-(carboxymethoxy)propane-1,2,3-tricarboxylic acid
CID 149436888
3-formyloxy-3-hydroxypropanoic acid
CID 58523990
2-[hydroxy(methoxy)methoxy]acetic acid
CID 88732358
dimagnesium bis(2-(carboxymethoxy)butanedioate)
CID 160715179
acetic acid;2-[hydroxy(methoxy)methoxy]acetic acid
CID 88732357
2-(1,2,2-trichloroethoxy)acetic acid
CID 175187287
4-(3-carboxy-2-hydroxypropanoyl)oxy-3-hydroxy-4-oxobutanoic acid;ethene
CID 87593463
tetrasodium bis(2-(carboxymethoxy)-3-(carboxymethyl)butanedioate)
CID 173462030
2-(1-hydroxypropan-2-yloxy)acetic acid
CID 23129856
2-[(2R)-butan-2-yl]oxyacetic acid
CID 92979817

Frequently Asked Questions

What is the IUPAC name of 3-(carboxymethoxy)-3-hydroxypropanoic acid?
The IUPAC name of 3-(carboxymethoxy)-3-hydroxypropanoic acid (CID 173213514) is 3-(carboxymethoxy)-3-hydroxypropanoic acid.
What is the SMILES notation for 3-(carboxymethoxy)-3-hydroxypropanoic acid?
The canonical SMILES for 3-(carboxymethoxy)-3-hydroxypropanoic acid is O=C(O)COC(O)CC(=O)O.
What is the InChIKey of 3-(carboxymethoxy)-3-hydroxypropanoic acid?
The InChIKey is NMLZZCIMVCSOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O6/c6-3(7)1-5(10)11-2-4(8)9/h5,10H,1-2H2,(H,6,7)(H,8,9).
What are the key properties of 3-(carboxymethoxy)-3-hydroxypropanoic acid?
3-(carboxymethoxy)-3-hydroxypropanoic acid has a molecular weight of 164.11 g/mol, XLogP of -1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carboxymethoxy)-3-hydroxypropanoic acid is sourced from PubChem (CID 173213514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).