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

C7H12O7 — CID 57229172

IUPAC2-[carboxy(ethoxy)methoxy]-3-hydroxypropanoic acid
SMILESCCOC(OC(CO)C(=O)O)C(=O)O
InChIInChI=1S/C7H12O7/c1-2-13-7(6(11)12)14-4(3-8)5(9)10/h4,7-8H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyZWSBTMIJZUGWLB-UHFFFAOYSA-N
MW208.17 g/mol
LogP-1.10
Rot. Bonds7

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

2-[carboxy(ethoxy)methoxy]-3-hydroxypropanoic acid (PubChem CID 57229172) has the molecular formula C7H12O7 and a molecular weight of 208.17 g/mol. Its IUPAC name is 2-[carboxy(ethoxy)methoxy]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[carboxy(ethoxy)methoxy]-3-hydroxypropanoic acid
PubChem CID57229172
Molecular FormulaC7H12O7
Molecular Weight208.17 g/mol
Exact Mass208.06
IUPAC Name2-[carboxy(ethoxy)methoxy]-3-hydroxypropanoic acid
SMILESCCOC(OC(CO)C(=O)O)C(=O)O
InChIInChI=1S/C7H12O7/c1-2-13-7(6(11)12)14-4(3-8)5(9)10/h4,7-8H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyZWSBTMIJZUGWLB-UHFFFAOYSA-N
XLogP-1.10
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 5-1.10
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
2,2,5-Trimethyl-1,3-dioxolane-4-carboxylic acid
CID 315257
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
Ethyl 2,3-dihydroxypropanoate
CID 12699281
Propyl 2,3-dihydroxypropanoate
CID 18678010
Glyceraldehyde lactate
CID 21117083
Monoacetone
CID 21547664
Glyzerin Pyruvat
CID 22406361
Propylene glycol lactate
CID 54133333

Frequently Asked Questions

What is the IUPAC name of 2-[carboxy(ethoxy)methoxy]-3-hydroxypropanoic acid?
The IUPAC name of 2-[carboxy(ethoxy)methoxy]-3-hydroxypropanoic acid (CID 57229172) is 2-[carboxy(ethoxy)methoxy]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[carboxy(ethoxy)methoxy]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[carboxy(ethoxy)methoxy]-3-hydroxypropanoic acid is CCOC(OC(CO)C(=O)O)C(=O)O.
What is the InChIKey of 2-[carboxy(ethoxy)methoxy]-3-hydroxypropanoic acid?
The InChIKey is ZWSBTMIJZUGWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O7/c1-2-13-7(6(11)12)14-4(3-8)5(9)10/h4,7-8H,2-3H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-[carboxy(ethoxy)methoxy]-3-hydroxypropanoic acid?
2-[carboxy(ethoxy)methoxy]-3-hydroxypropanoic acid has a molecular weight of 208.17 g/mol, XLogP of -1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxy(ethoxy)methoxy]-3-hydroxypropanoic acid is sourced from PubChem (CID 57229172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).