3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid

C13H18N2O3 — CID 71070439

IUPAC3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
SMILESCNCCc1ccccc1C(=O)NCCC(=O)O
InChIInChI=1S/C13H18N2O3/c1-14-8-6-10-4-2-3-5-11(10)13(18)15-9-7-12(16)17/h2-5,14H,6-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyWYAYLCSGRONAPZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.65
Rot. Bonds7

About 3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid

3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid (PubChem CID 71070439) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
PubChem CID71070439
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
SMILESCNCCc1ccccc1C(=O)NCCC(=O)O
InChIInChI=1S/C13H18N2O3/c1-14-8-6-10-4-2-3-5-11(10)13(18)15-9-7-12(16)17/h2-5,14H,6-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyWYAYLCSGRONAPZ-UHFFFAOYSA-N
XLogP0.65
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[2-[2-(methylamino)ethyl]benzoyl]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

6-[[2-[2-(methylamino)ethyl]benzoyl]amino]hexanoic acid
CID 104547644
3-[[2-(3,3-diphenylpropyl)benzoyl]amino]propanoic acid
CID 68910081
N-(2-cyanoethyl)-2-[2-(methylamino)ethyl]benzamide
CID 113425664
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
2-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 104547416
N-(2-ethoxyethyl)-2-[2-(methylamino)ethyl]benzamide
CID 113425672
N-[2-(methanesulfonamido)ethyl]-2-[2-(methylamino)ethyl]benzamide
CID 104547460
2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide
CID 104547357
2-[2-(methylamino)ethyl]-N-pent-4-ynylbenzamide
CID 114160142
2-[2-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)benzamide
CID 104547629
N-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide
CID 104547307
2-[2-(methylamino)ethyl]-N-(3-phenylmethoxypropyl)benzamide
CID 113425680

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid?
The IUPAC name of 3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid (CID 71070439) is 3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid is CNCCc1ccccc1C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid?
The InChIKey is WYAYLCSGRONAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-14-8-6-10-4-2-3-5-11(10)13(18)15-9-7-12(16)17/h2-5,14H,6-9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid?
3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid has a molecular weight of 250.30 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid is sourced from PubChem (CID 71070439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).