2-[[2-(2-methoxyethoxy)acetyl]-methylamino]propanoic acid

C9H17NO5 — CID 20586168

IUPAC2-[[2-(2-methoxyethoxy)acetyl]-methylamino]propanoic acid
SMILESCOCCOCC(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C9H17NO5/c1-7(9(12)13)10(2)8(11)6-15-5-4-14-3/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyNINFCKGUPVRWMC-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.42
Rot. Bonds7

About 2-[[2-(2-methoxyethoxy)acetyl]-methylamino]propanoic acid

2-[[2-(2-methoxyethoxy)acetyl]-methylamino]propanoic acid (PubChem CID 20586168) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[[2-(2-methoxyethoxy)acetyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(2-methoxyethoxy)acetyl]-methylamino]propanoic acid
PubChem CID20586168
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Name2-[[2-(2-methoxyethoxy)acetyl]-methylamino]propanoic acid
SMILESCOCCOCC(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C9H17NO5/c1-7(9(12)13)10(2)8(11)6-15-5-4-14-3/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyNINFCKGUPVRWMC-UHFFFAOYSA-N
XLogP-0.42
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[[2-(2-methoxyethoxy)acetyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[2-(2-methoxyethoxy)acetyl]-methylamino]propanoic acid (CID 20586168) is 2-[[2-(2-methoxyethoxy)acetyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-(2-methoxyethoxy)acetyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-(2-methoxyethoxy)acetyl]-methylamino]propanoic acid is COCCOCC(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[[2-(2-methoxyethoxy)acetyl]-methylamino]propanoic acid?
The InChIKey is NINFCKGUPVRWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5/c1-7(9(12)13)10(2)8(11)6-15-5-4-14-3/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-[[2-(2-methoxyethoxy)acetyl]-methylamino]propanoic acid?
2-[[2-(2-methoxyethoxy)acetyl]-methylamino]propanoic acid has a molecular weight of 219.24 g/mol, XLogP of -0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyethoxy)acetyl]-methylamino]propanoic acid is sourced from PubChem (CID 20586168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).