2-[[3-(dimethylamino)benzoyl]-propylamino]acetic acid

C14H20N2O3 — CID 61012479

IUPAC2-[[3-(dimethylamino)benzoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C14H20N2O3/c1-4-8-16(10-13(17)18)14(19)11-6-5-7-12(9-11)15(2)3/h5-7,9H,4,8,10H2,1-3H3,(H,17,18)
InChIKeyVHXYXNYQFVVUNF-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.69
Rot. Bonds6

About 2-[[3-(dimethylamino)benzoyl]-propylamino]acetic acid

2-[[3-(dimethylamino)benzoyl]-propylamino]acetic acid (PubChem CID 61012479) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)benzoyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(dimethylamino)benzoyl]-propylamino]acetic acid
PubChem CID61012479
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[[3-(dimethylamino)benzoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C14H20N2O3/c1-4-8-16(10-13(17)18)14(19)11-6-5-7-12(9-11)15(2)3/h5-7,9H,4,8,10H2,1-3H3,(H,17,18)
InChIKeyVHXYXNYQFVVUNF-UHFFFAOYSA-N
XLogP1.69
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[3-(dimethylamino)benzoyl]-propylamino]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

2-[benzoyl(propyl)amino]acetic acid
CID 61011930
N-(2-chloroethyl)-3-(dimethylamino)-N-ethylbenzamide
CID 55186275
2-[propyl-[3-(sulfamoylmethyl)benzoyl]amino]acetic acid
CID 119205518
1-[3-(dimethylamino)phenyl]butan-1-one
CID 67236885
2-[(4-chloro-3-fluorobenzoyl)-propylamino]acetic acid
CID 106703257
2-[[methyl(phenyl)carbamoyl]-propylamino]acetic acid
CID 55133981
3-[carboxymethyl-(3-methylbenzoyl)amino]propanoic acid
CID 82324641
2-[propyl-[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetic acid
CID 119205119
2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]-propylamino]acetic acid
CID 86779617
2-[[3-(azepan-1-ylsulfonyl)benzoyl]-propylamino]acetic acid
CID 119205568
2-[(3-chloro-4-fluorobenzoyl)-propylamino]acetic acid
CID 82875631
2-[[3-[ethyl(methyl)carbamoyl]benzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189296

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)benzoyl]-propylamino]acetic acid?
The IUPAC name of 2-[[3-(dimethylamino)benzoyl]-propylamino]acetic acid (CID 61012479) is 2-[[3-(dimethylamino)benzoyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[3-(dimethylamino)benzoyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[3-(dimethylamino)benzoyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1cccc(N(C)C)c1.
What is the InChIKey of 2-[[3-(dimethylamino)benzoyl]-propylamino]acetic acid?
The InChIKey is VHXYXNYQFVVUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-8-16(10-13(17)18)14(19)11-6-5-7-12(9-11)15(2)3/h5-7,9H,4,8,10H2,1-3H3,(H,17,18).
What are the key properties of 2-[[3-(dimethylamino)benzoyl]-propylamino]acetic acid?
2-[[3-(dimethylamino)benzoyl]-propylamino]acetic acid has a molecular weight of 264.32 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)benzoyl]-propylamino]acetic acid is sourced from PubChem (CID 61012479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).