3-[[2-carboxyethyl-(5-methyl-1,2-oxazol-3-yl)amino]methyl]benzoic acid

C15H16N2O5 — CID 82317521

IUPAC3-[[2-carboxyethyl-(5-methyl-1,2-oxazol-3-yl)amino]methyl]benzoic acid
SMILESCc1cc(N(CCC(=O)O)Cc2cccc(C(=O)O)c2)no1
InChIInChI=1S/C15H16N2O5/c1-10-7-13(16-22-10)17(6-5-14(18)19)9-11-3-2-4-12(8-11)15(20)21/h2-4,7-8H,5-6,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyNDYJSFSDXRTBAR-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.16
Rot. Bonds7

About 3-[[2-carboxyethyl-(5-methyl-1,2-oxazol-3-yl)amino]methyl]benzoic acid

3-[[2-carboxyethyl-(5-methyl-1,2-oxazol-3-yl)amino]methyl]benzoic acid (PubChem CID 82317521) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 3-[[2-carboxyethyl-(5-methyl-1,2-oxazol-3-yl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[2-carboxyethyl-(5-methyl-1,2-oxazol-3-yl)amino]methyl]benzoic acid
PubChem CID82317521
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name3-[[2-carboxyethyl-(5-methyl-1,2-oxazol-3-yl)amino]methyl]benzoic acid
SMILESCc1cc(N(CCC(=O)O)Cc2cccc(C(=O)O)c2)no1
InChIInChI=1S/C15H16N2O5/c1-10-7-13(16-22-10)17(6-5-14(18)19)9-11-3-2-4-12(8-11)15(20)21/h2-4,7-8H,5-6,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyNDYJSFSDXRTBAR-UHFFFAOYSA-N
XLogP2.16
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[2-carboxyethyl-(5-methyl-1,2-oxazol-3-yl)amino]methyl]benzoic 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-[(2-fluorophenyl)methyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoic acid
CID 82317464
3-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]benzoic acid
CID 63793346
3-[[2-carboxyethyl(cyclopropyl)amino]methyl]benzoic acid
CID 82327896
3-[(5-methyl-1,2-oxazol-3-yl)-(pyridine-4-carbonyl)amino]propanoic acid
CID 82321721
3-[benzyl-(4-methyl-2-pyridinyl)amino]propanoic acid
CID 82317310
3-[[methyl(propyl)amino]methyl]benzoic acid
CID 43271448
3-[[2-(dimethylamino)ethyl-methylamino]methyl]benzoic acid
CID 63695430
3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
CID 65486667
3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 20586201
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-benzylpropanamide
CID 113135674
3-[(5-methyl-1,2-oxazol-3-yl)-pentanoylamino]propanoic acid
CID 82320899
3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]benzoic acid
CID 43526411

Frequently Asked Questions

What is the IUPAC name of 3-[[2-carboxyethyl-(5-methyl-1,2-oxazol-3-yl)amino]methyl]benzoic acid?
The IUPAC name of 3-[[2-carboxyethyl-(5-methyl-1,2-oxazol-3-yl)amino]methyl]benzoic acid (CID 82317521) is 3-[[2-carboxyethyl-(5-methyl-1,2-oxazol-3-yl)amino]methyl]benzoic acid.
What is the SMILES notation for 3-[[2-carboxyethyl-(5-methyl-1,2-oxazol-3-yl)amino]methyl]benzoic acid?
The canonical SMILES for 3-[[2-carboxyethyl-(5-methyl-1,2-oxazol-3-yl)amino]methyl]benzoic acid is Cc1cc(N(CCC(=O)O)Cc2cccc(C(=O)O)c2)no1.
What is the InChIKey of 3-[[2-carboxyethyl-(5-methyl-1,2-oxazol-3-yl)amino]methyl]benzoic acid?
The InChIKey is NDYJSFSDXRTBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-10-7-13(16-22-10)17(6-5-14(18)19)9-11-3-2-4-12(8-11)15(20)21/h2-4,7-8H,5-6,9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-[[2-carboxyethyl-(5-methyl-1,2-oxazol-3-yl)amino]methyl]benzoic acid?
3-[[2-carboxyethyl-(5-methyl-1,2-oxazol-3-yl)amino]methyl]benzoic acid has a molecular weight of 304.30 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-carboxyethyl-(5-methyl-1,2-oxazol-3-yl)amino]methyl]benzoic acid is sourced from PubChem (CID 82317521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).