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

C9H13N3O4 — CID 103246275

IUPAC5-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCNC(=O)C(C)NCc1cc(C(=O)O)no1
InChIInChI=1S/C9H13N3O4/c1-5(8(13)10-2)11-4-6-3-7(9(14)15)12-16-6/h3,5,11H,4H2,1-2H3,(H,10,13)(H,14,15)
InChIKeyMDASVKKGXGNDLR-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.40
Rot. Bonds5

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

5-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 103246275) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 5-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID103246275
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name5-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCNC(=O)C(C)NCc1cc(C(=O)O)no1
InChIInChI=1S/C9H13N3O4/c1-5(8(13)10-2)11-4-6-3-7(9(14)15)12-16-6/h3,5,11H,4H2,1-2H3,(H,10,13)(H,14,15)
InChIKeyMDASVKKGXGNDLR-UHFFFAOYSA-N
XLogP-0.40
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[[1-(methylamino)-1-oxopropan-2-yl]amino]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

5-[(1-cyclobutylethylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 103268286
5-[[1-(5-methylfuran-2-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103242352
5-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103257810
5-[[1-(oxolan-3-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103268155
(2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid
CID 83195269
5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103264279
5-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103242811
5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103258761
5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103248690
5-(2-hydroxypropyl)-1,2-oxazole-3-carboxylic acid
CID 123347275
5-[(2-hydroxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 103238258
5-[[(2-methylpropan-2-yl)oxyamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103261415

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylic acid (CID 103246275) is 5-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylic acid is CNC(=O)C(C)NCc1cc(C(=O)O)no1.
What is the InChIKey of 5-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is MDASVKKGXGNDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-5(8(13)10-2)11-4-6-3-7(9(14)15)12-16-6/h3,5,11H,4H2,1-2H3,(H,10,13)(H,14,15).
What are the key properties of 5-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 227.22 g/mol, XLogP of -0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 103246275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).