2-[carboxy(propoxy)methoxy]-3-hydroxypropanoic acid

C8H14O7 — CID 56981900

IUPAC2-[carboxy(propoxy)methoxy]-3-hydroxypropanoic acid
SMILESCCCOC(OC(CO)C(=O)O)C(=O)O
InChIInChI=1S/C8H14O7/c1-2-3-14-8(7(12)13)15-5(4-9)6(10)11/h5,8-9H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyNQNRREFREHZBOD-UHFFFAOYSA-N
MW222.19 g/mol
LogP-0.71
Rot. Bonds8

About 2-[carboxy(propoxy)methoxy]-3-hydroxypropanoic acid

2-[carboxy(propoxy)methoxy]-3-hydroxypropanoic acid (PubChem CID 56981900) has the molecular formula C8H14O7 and a molecular weight of 222.19 g/mol. Its IUPAC name is 2-[carboxy(propoxy)methoxy]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[carboxy(propoxy)methoxy]-3-hydroxypropanoic acid
PubChem CID56981900
Molecular FormulaC8H14O7
Molecular Weight222.19 g/mol
Exact Mass222.07
IUPAC Name2-[carboxy(propoxy)methoxy]-3-hydroxypropanoic acid
SMILESCCCOC(OC(CO)C(=O)O)C(=O)O
InChIInChI=1S/C8H14O7/c1-2-3-14-8(7(12)13)15-5(4-9)6(10)11/h5,8-9H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyNQNRREFREHZBOD-UHFFFAOYSA-N
XLogP-0.71
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid
CID 10909699
2-(1-Ethoxyethoxy)propanoic acid
CID 21286131
2-t-Butyl-5-hydroxymethyl-5-methyl-[1,3]dioxolan-4-one
CID 554337
Ethyl 2,3,3-triethoxypropanoate
CID 85871046
1,3-Dioxolane-4-carboxylic acid, 2,2-dimethyl-5-oxo-
CID 10219575
(4R)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid
CID 10855606
(S)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid
CID 11126405
Glyzerin Pyruvat
CID 22406361
Propylene glycol lactate
CID 54133333
Glycerinmonolactat
CID 129638783
Diglyceride acetate
CID 129662542
Triglyceride alcohol
CID 129670250

Frequently Asked Questions

What is the IUPAC name of 2-[carboxy(propoxy)methoxy]-3-hydroxypropanoic acid?
The IUPAC name of 2-[carboxy(propoxy)methoxy]-3-hydroxypropanoic acid (CID 56981900) is 2-[carboxy(propoxy)methoxy]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[carboxy(propoxy)methoxy]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[carboxy(propoxy)methoxy]-3-hydroxypropanoic acid is CCCOC(OC(CO)C(=O)O)C(=O)O.
What is the InChIKey of 2-[carboxy(propoxy)methoxy]-3-hydroxypropanoic acid?
The InChIKey is NQNRREFREHZBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O7/c1-2-3-14-8(7(12)13)15-5(4-9)6(10)11/h5,8-9H,2-4H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-[carboxy(propoxy)methoxy]-3-hydroxypropanoic acid?
2-[carboxy(propoxy)methoxy]-3-hydroxypropanoic acid has a molecular weight of 222.19 g/mol, XLogP of -0.71, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxy(propoxy)methoxy]-3-hydroxypropanoic acid is sourced from PubChem (CID 56981900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).