2-[2-(dimethylamino)ethyl-(3-phenylprop-2-ynoyl)amino]acetic acid

C15H18N2O3 — CID 107423505

IUPAC2-[2-(dimethylamino)ethyl-(3-phenylprop-2-ynoyl)amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)C#Cc1ccccc1
InChIInChI=1S/C15H18N2O3/c1-16(2)10-11-17(12-15(19)20)14(18)9-8-13-6-4-3-5-7-13/h3-7H,10-12H2,1-2H3,(H,19,20)
InChIKeyMRTILOZIKOQMNZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.51
Rot. Bonds5

About 2-[2-(dimethylamino)ethyl-(3-phenylprop-2-ynoyl)amino]acetic acid

2-[2-(dimethylamino)ethyl-(3-phenylprop-2-ynoyl)amino]acetic acid (PubChem CID 107423505) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(3-phenylprop-2-ynoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(3-phenylprop-2-ynoyl)amino]acetic acid
PubChem CID107423505
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[2-(dimethylamino)ethyl-(3-phenylprop-2-ynoyl)amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)C#Cc1ccccc1
InChIInChI=1S/C15H18N2O3/c1-16(2)10-11-17(12-15(19)20)14(18)9-8-13-6-4-3-5-7-13/h3-7H,10-12H2,1-2H3,(H,19,20)
InChIKeyMRTILOZIKOQMNZ-UHFFFAOYSA-N
XLogP0.51
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(dimethylamino)ethyl-(3-phenylprop-2-ynoyl)amino]acetic 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-ethyl-N-(2-hydroxyethyl)-3-phenylprop-2-ynamide
CID 60957047
methyl 2-[(2-methoxy-2-oxoethyl)-(3-phenylprop-2-ynoyl)amino]acetate
CID 62952801
methyl 2-[3-phenylprop-2-ynoyl(propyl)amino]acetate
CID 55005905
ethyl 2-[3-phenylprop-2-ynoyl(propyl)amino]acetate
CID 61008491
2-[2-(dimethylamino)ethyl-(2-methylsulfanylbenzoyl)amino]acetic acid
CID 107424030
2-[2-(dimethylamino)ethyl-[(E)-3-phenylprop-2-enoyl]amino]acetic acid
CID 103802756
2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 91831210
2-[2-(dimethylamino)ethyl-(2-pyridin-2-ylacetyl)amino]acetic acid
CID 107424052
2-(dimethylamino)-N-[4-(4-phenylbuta-1,3-diynyl)phenyl]acetamide
CID 22040342
2-[[2-(2,6-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802737
2-(dimethylamino)-1-[5-(2-phenylethynyl)thiophen-2-yl]ethanone
CID 170895613
2-[2-(dimethylamino)ethyl-(pyrimidine-5-carbonyl)amino]acetic acid
CID 107423918

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(3-phenylprop-2-ynoyl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(3-phenylprop-2-ynoyl)amino]acetic acid (CID 107423505) is 2-[2-(dimethylamino)ethyl-(3-phenylprop-2-ynoyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(3-phenylprop-2-ynoyl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(3-phenylprop-2-ynoyl)amino]acetic acid is CN(C)CCN(CC(=O)O)C(=O)C#Cc1ccccc1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(3-phenylprop-2-ynoyl)amino]acetic acid?
The InChIKey is MRTILOZIKOQMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-16(2)10-11-17(12-15(19)20)14(18)9-8-13-6-4-3-5-7-13/h3-7H,10-12H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-(dimethylamino)ethyl-(3-phenylprop-2-ynoyl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(3-phenylprop-2-ynoyl)amino]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(3-phenylprop-2-ynoyl)amino]acetic acid is sourced from PubChem (CID 107423505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).