3-(2-methoxyethylamino)propanoic acid

C6H13NO3 — CID 22937888

IUPAC3-(2-methoxyethylamino)propanoic acid
SMILESCOCCNCCC(=O)O
InChIInChI=1S/C6H13NO3/c1-10-5-4-7-3-2-6(8)9/h7H,2-5H2,1H3,(H,8,9)
InChIKeyBVGXKFLELPHBDT-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.30
Rot. Bonds6

About 3-(2-methoxyethylamino)propanoic acid

3-(2-methoxyethylamino)propanoic acid (PubChem CID 22937888) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 3-(2-methoxyethylamino)propanoic acid.

Molecular Properties

Compound Name3-(2-methoxyethylamino)propanoic acid
PubChem CID22937888
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name3-(2-methoxyethylamino)propanoic acid
SMILESCOCCNCCC(=O)O
InChIInChI=1S/C6H13NO3/c1-10-5-4-7-3-2-6(8)9/h7H,2-5H2,1H3,(H,8,9)
InChIKeyBVGXKFLELPHBDT-UHFFFAOYSA-N
XLogP-0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylamino)propanoic acid?
The IUPAC name of 3-(2-methoxyethylamino)propanoic acid (CID 22937888) is 3-(2-methoxyethylamino)propanoic acid.
What is the SMILES notation for 3-(2-methoxyethylamino)propanoic acid?
The canonical SMILES for 3-(2-methoxyethylamino)propanoic acid is COCCNCCC(=O)O.
What is the InChIKey of 3-(2-methoxyethylamino)propanoic acid?
The InChIKey is BVGXKFLELPHBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-10-5-4-7-3-2-6(8)9/h7H,2-5H2,1H3,(H,8,9).
What are the key properties of 3-(2-methoxyethylamino)propanoic acid?
3-(2-methoxyethylamino)propanoic acid has a molecular weight of 147.17 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylamino)propanoic acid is sourced from PubChem (CID 22937888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).