3-[[2-(2-methoxyethylamino)acetyl]-methylamino]propanoic acid

C9H18N2O4 — CID 79282817

IUPAC3-[[2-(2-methoxyethylamino)acetyl]-methylamino]propanoic acid
SMILESCOCCNCC(=O)N(C)CCC(=O)O
InChIInChI=1S/C9H18N2O4/c1-11(5-3-9(13)14)8(12)7-10-4-6-15-2/h10H,3-7H2,1-2H3,(H,13,14)
InChIKeyGKIDKAXGYXCEDA-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.84
Rot. Bonds8

About 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]propanoic acid

3-[[2-(2-methoxyethylamino)acetyl]-methylamino]propanoic acid (PubChem CID 79282817) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(2-methoxyethylamino)acetyl]-methylamino]propanoic acid
PubChem CID79282817
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name3-[[2-(2-methoxyethylamino)acetyl]-methylamino]propanoic acid
SMILESCOCCNCC(=O)N(C)CCC(=O)O
InChIInChI=1S/C9H18N2O4/c1-11(5-3-9(13)14)8(12)7-10-4-6-15-2/h10H,3-7H2,1-2H3,(H,13,14)
InChIKeyGKIDKAXGYXCEDA-UHFFFAOYSA-N
XLogP-0.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-hydroxybutyl)-2-(2-methoxyethylamino)-N-methylacetamide
CID 115740129
N-(2-amino-2-oxoethyl)-2-(2-methoxyethylamino)-N-methylacetamide
CID 79281885
methyl 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]-2-methylpropanoate
CID 79282082
N-[2-(4-bromophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 119771057
N-(cyclobutylmethyl)-2-(2-methoxyethylamino)-N-methylacetamide
CID 79282440
N-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methylacetamide
CID 62843102
2-[2-(2-methoxyethoxy)ethylamino]acetic acid
CID 58383949
3-[2-methoxyethyl(methyl)amino]-3-oxopropanoic acid
CID 62230101
N-[3-(4-fluorophenoxy)propyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119733058
2-(cyclopropylmethylamino)-N-(2-methoxyethyl)-N-methylacetamide
CID 61042213
2-(2-methoxyethylamino)-N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 119807198
N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78908417

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]propanoic acid (CID 79282817) is 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]propanoic acid is COCCNCC(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]propanoic acid?
The InChIKey is GKIDKAXGYXCEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-11(5-3-9(13)14)8(12)7-10-4-6-15-2/h10H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]propanoic acid?
3-[[2-(2-methoxyethylamino)acetyl]-methylamino]propanoic acid has a molecular weight of 218.25 g/mol, XLogP of -0.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]propanoic acid is sourced from PubChem (CID 79282817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).