2-(1-carboxyethoxy)propanoic acid

C6H10O5 — CID 3828587

IUPAC2-(1-carboxyethoxy)propanoic acid
SMILESCC(OC(C)C(=O)O)C(=O)O
InChIInChI=1S/C6H10O5/c1-3(5(7)8)11-4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)
InChIKeyFBYFHODQAUBIOO-UHFFFAOYSA-N
MW162.14 g/mol
LogP-0.05
Rot. Bonds4

About 2-(1-carboxyethoxy)propanoic acid

2-(1-carboxyethoxy)propanoic acid (PubChem CID 3828587) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is 2-(1-carboxyethoxy)propanoic acid.

Molecular Properties

Compound Name2-(1-carboxyethoxy)propanoic acid
PubChem CID3828587
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name2-(1-carboxyethoxy)propanoic acid
SMILESCC(OC(C)C(=O)O)C(=O)O
InChIInChI=1S/C6H10O5/c1-3(5(7)8)11-4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)
InChIKeyFBYFHODQAUBIOO-UHFFFAOYSA-N
XLogP-0.05
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-carboxyethoxy)propanoic acid?
The IUPAC name of 2-(1-carboxyethoxy)propanoic acid (CID 3828587) is 2-(1-carboxyethoxy)propanoic acid.
What is the SMILES notation for 2-(1-carboxyethoxy)propanoic acid?
The canonical SMILES for 2-(1-carboxyethoxy)propanoic acid is CC(OC(C)C(=O)O)C(=O)O.
What is the InChIKey of 2-(1-carboxyethoxy)propanoic acid?
The InChIKey is FBYFHODQAUBIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5/c1-3(5(7)8)11-4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10).
What are the key properties of 2-(1-carboxyethoxy)propanoic acid?
2-(1-carboxyethoxy)propanoic acid has a molecular weight of 162.14 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-carboxyethoxy)propanoic acid is sourced from PubChem (CID 3828587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).