5-[[(2-amino-2-oxoethyl)-methylamino]methyl]-1,2-oxazole-3-carboxylic acid

C8H11N3O4 — CID 61397938

IUPAC5-[[(2-amino-2-oxoethyl)-methylamino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCN(CC(N)=O)Cc1cc(C(=O)O)no1
InChIInChI=1S/C8H11N3O4/c1-11(4-7(9)12)3-5-2-6(8(13)14)10-15-5/h2H,3-4H2,1H3,(H2,9,12)(H,13,14)
InChIKeyAZHNWTUGXPLCAW-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.71
Rot. Bonds5

About 5-[[(2-amino-2-oxoethyl)-methylamino]methyl]-1,2-oxazole-3-carboxylic acid

5-[[(2-amino-2-oxoethyl)-methylamino]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 61397938) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 5-[[(2-amino-2-oxoethyl)-methylamino]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-amino-2-oxoethyl)-methylamino]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID61397938
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name5-[[(2-amino-2-oxoethyl)-methylamino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCN(CC(N)=O)Cc1cc(C(=O)O)no1
InChIInChI=1S/C8H11N3O4/c1-11(4-7(9)12)3-5-2-6(8(13)14)10-15-5/h2H,3-4H2,1H3,(H2,9,12)(H,13,14)
InChIKeyAZHNWTUGXPLCAW-UHFFFAOYSA-N
XLogP-0.71
TPSA109.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[(2-amino-2-oxoethyl)-methylamino]methyl]-1,2-oxazole-3-carboxylic 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-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-methylamino]acetamide
CID 63571778
5-[[hydroxy(methyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 131122642
5-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 54990080
5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carboxylic acid
CID 55053071
5-[(dibutylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397880
5-[[ethyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 61397882
2-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-propan-2-ylamino]acetamide
CID 63583631
5-[(4-cyano-N-methylanilino)methyl]-1,2-oxazole-3-carboxylic acid
CID 55142151
5-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 112666606
5-[[ethyl(2-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 79478057
5-(2-hydroxypropyl)-1,2-oxazole-3-carboxylic acid
CID 123347275
5-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 61423513

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-amino-2-oxoethyl)-methylamino]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[(2-amino-2-oxoethyl)-methylamino]methyl]-1,2-oxazole-3-carboxylic acid (CID 61397938) is 5-[[(2-amino-2-oxoethyl)-methylamino]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[(2-amino-2-oxoethyl)-methylamino]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[(2-amino-2-oxoethyl)-methylamino]methyl]-1,2-oxazole-3-carboxylic acid is CN(CC(N)=O)Cc1cc(C(=O)O)no1.
What is the InChIKey of 5-[[(2-amino-2-oxoethyl)-methylamino]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is AZHNWTUGXPLCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-11(4-7(9)12)3-5-2-6(8(13)14)10-15-5/h2H,3-4H2,1H3,(H2,9,12)(H,13,14).
What are the key properties of 5-[[(2-amino-2-oxoethyl)-methylamino]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[(2-amino-2-oxoethyl)-methylamino]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 213.19 g/mol, XLogP of -0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-amino-2-oxoethyl)-methylamino]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 61397938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).