2-(2-hydroxyethoxy)propanoate

C5H9O4- — CID 19884519

IUPAC2-(2-hydroxyethoxy)propanoate
SMILESCC(OCCO)C(=O)[O-]
InChIInChI=1S/C5H10O4/c1-4(5(7)8)9-3-2-6/h4,6H,2-3H2,1H3,(H,7,8)/p-1
InChIKeyCNKWSDPXBSSSPJ-UHFFFAOYSA-M
MW133.12 g/mol
LogP-1.87
Rot. Bonds4

About 2-(2-hydroxyethoxy)propanoate

2-(2-hydroxyethoxy)propanoate (PubChem CID 19884519) has the molecular formula C5H9O4- and a molecular weight of 133.12 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)propanoate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)propanoate
PubChem CID19884519
Molecular FormulaC5H9O4-
Molecular Weight133.12 g/mol
Exact Mass133.05
IUPAC Name2-(2-hydroxyethoxy)propanoate
SMILESCC(OCCO)C(=O)[O-]
InChIInChI=1S/C5H10O4/c1-4(5(7)8)9-3-2-6/h4,6H,2-3H2,1H3,(H,7,8)/p-1
InChIKeyCNKWSDPXBSSSPJ-UHFFFAOYSA-M
XLogP-1.87
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.12
LogP ≤ 5-1.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 18318699
sodium 2-butoxypropanoate
CID 141029680
methyl 2-(2-hydroxyethoxy)propanoate
CID 15099863
sodium 2-ethoxypropanoate
CID 141029681
4-hydroxy-2-(2-hydroxyethoxy)butanoate;dihydrate
CID 159686152
2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol
CID 14291300
2-(2-hydroxyethoxy)-3-methoxypropanoic acid
CID 168724097
(2S)-2-(2-hydroxyethoxy)propan-1-ol
CID 87093044
2-(1-aminopropan-2-yloxy)ethanol;hydrochloride
CID 86645498
dilithium;2-methylpropanedioate
CID 87066943
disilver;2-methylpropanedioate
CID 121393244
bis[1-(2-hydroxyethoxy)-1-oxopropan-2-yl] butanedioate
CID 162489298

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)propanoate?
The IUPAC name of 2-(2-hydroxyethoxy)propanoate (CID 19884519) is 2-(2-hydroxyethoxy)propanoate.
What is the SMILES notation for 2-(2-hydroxyethoxy)propanoate?
The canonical SMILES for 2-(2-hydroxyethoxy)propanoate is CC(OCCO)C(=O)[O-].
What is the InChIKey of 2-(2-hydroxyethoxy)propanoate?
The InChIKey is CNKWSDPXBSSSPJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10O4/c1-4(5(7)8)9-3-2-6/h4,6H,2-3H2,1H3,(H,7,8)/p-1.
What are the key properties of 2-(2-hydroxyethoxy)propanoate?
2-(2-hydroxyethoxy)propanoate has a molecular weight of 133.12 g/mol, XLogP of -1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)propanoate is sourced from PubChem (CID 19884519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).