2-(2-aminoethoxy)propanoic acid

C5H11NO3 — CID 14582657

IUPAC2-(2-aminoethoxy)propanoic acid
SMILESCC(OCCN)C(=O)O
InChIInChI=1S/C5H11NO3/c1-4(5(7)8)9-3-2-6/h4H,2-3,6H2,1H3,(H,7,8)
InChIKeyMODLFFRGJURKNI-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.57
Rot. Bonds4

About 2-(2-aminoethoxy)propanoic acid

2-(2-aminoethoxy)propanoic acid (PubChem CID 14582657) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 2-(2-aminoethoxy)propanoic acid.

Molecular Properties

Compound Name2-(2-aminoethoxy)propanoic acid
PubChem CID14582657
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name2-(2-aminoethoxy)propanoic acid
SMILESCC(OCCN)C(=O)O
InChIInChI=1S/C5H11NO3/c1-4(5(7)8)9-3-2-6/h4H,2-3,6H2,1H3,(H,7,8)
InChIKeyMODLFFRGJURKNI-UHFFFAOYSA-N
XLogP-0.57
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)propanoic acid?
The IUPAC name of 2-(2-aminoethoxy)propanoic acid (CID 14582657) is 2-(2-aminoethoxy)propanoic acid.
What is the SMILES notation for 2-(2-aminoethoxy)propanoic acid?
The canonical SMILES for 2-(2-aminoethoxy)propanoic acid is CC(OCCN)C(=O)O.
What is the InChIKey of 2-(2-aminoethoxy)propanoic acid?
The InChIKey is MODLFFRGJURKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-4(5(7)8)9-3-2-6/h4H,2-3,6H2,1H3,(H,7,8).
What are the key properties of 2-(2-aminoethoxy)propanoic acid?
2-(2-aminoethoxy)propanoic acid has a molecular weight of 133.15 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)propanoic acid is sourced from PubChem (CID 14582657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).