3-[2-(dimethylamino)ethyl-(2-methoxyacetyl)amino]propanoic acid

C10H20N2O4 — CID 82325696

IUPAC3-[2-(dimethylamino)ethyl-(2-methoxyacetyl)amino]propanoic acid
SMILESCOCC(=O)N(CCC(=O)O)CCN(C)C
InChIInChI=1S/C10H20N2O4/c1-11(2)6-7-12(5-4-10(14)15)9(13)8-16-3/h4-8H2,1-3H3,(H,14,15)
InChIKeyGIYKIRZRMSHNLS-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.50
Rot. Bonds8

About 3-[2-(dimethylamino)ethyl-(2-methoxyacetyl)amino]propanoic acid

3-[2-(dimethylamino)ethyl-(2-methoxyacetyl)amino]propanoic acid (PubChem CID 82325696) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl-(2-methoxyacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl-(2-methoxyacetyl)amino]propanoic acid
PubChem CID82325696
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name3-[2-(dimethylamino)ethyl-(2-methoxyacetyl)amino]propanoic acid
SMILESCOCC(=O)N(CCC(=O)O)CCN(C)C
InChIInChI=1S/C10H20N2O4/c1-11(2)6-7-12(5-4-10(14)15)9(13)8-16-3/h4-8H2,1-3H3,(H,14,15)
InChIKeyGIYKIRZRMSHNLS-UHFFFAOYSA-N
XLogP-0.50
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(dimethylamino)ethyl-(2-methoxyacetyl)amino]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

3-[cyclopropylmethyl-(2-methoxyacetyl)amino]propanoic acid
CID 115730548
N-(3-amino-3-sulfanylidenepropyl)-N-[3-(dimethylamino)propyl]-2-methoxyacetamide
CID 82104066
3-[2-(dimethylamino)ethyl-(2-phenylacetyl)amino]propanoic acid
CID 82325130
3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]propanoic acid
CID 82330232
3-[(2-methoxyacetyl)-propan-2-ylamino]propanoic acid
CID 61276954
4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid
CID 54876287
3-[methyl((113C)methyl)amino]propanoic acid;hydrochloride
CID 172746252
N,N-bis(2-hydroxyethyl)-2-methoxyacetamide;ethane
CID 145142021
2-[2-(dimethylamino)ethyl-[3-(dimethylamino)propanoyl]amino]acetic acid
CID 107423497
2-methoxy-N,N-dipentylacetamide
CID 60776145
3-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-3-oxopropanoic acid
CID 62229917
2-[(2-methoxyacetyl)-methylamino]acetic acid
CID 16777253

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl-(2-methoxyacetyl)amino]propanoic acid?
The IUPAC name of 3-[2-(dimethylamino)ethyl-(2-methoxyacetyl)amino]propanoic acid (CID 82325696) is 3-[2-(dimethylamino)ethyl-(2-methoxyacetyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl-(2-methoxyacetyl)amino]propanoic acid?
The canonical SMILES for 3-[2-(dimethylamino)ethyl-(2-methoxyacetyl)amino]propanoic acid is COCC(=O)N(CCC(=O)O)CCN(C)C.
What is the InChIKey of 3-[2-(dimethylamino)ethyl-(2-methoxyacetyl)amino]propanoic acid?
The InChIKey is GIYKIRZRMSHNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-11(2)6-7-12(5-4-10(14)15)9(13)8-16-3/h4-8H2,1-3H3,(H,14,15).
What are the key properties of 3-[2-(dimethylamino)ethyl-(2-methoxyacetyl)amino]propanoic acid?
3-[2-(dimethylamino)ethyl-(2-methoxyacetyl)amino]propanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl-(2-methoxyacetyl)amino]propanoic acid is sourced from PubChem (CID 82325696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).