2-methyl-3-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid

C9H12N2O4 — CID 110835158

IUPAC2-methyl-3-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid
SMILESCc1coc(C(=O)NCC(C)C(=O)O)n1
InChIInChI=1S/C9H12N2O4/c1-5(9(13)14)3-10-7(12)8-11-6(2)4-15-8/h4-5H,3H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyBEMXBPFIUUXUFE-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.43
Rot. Bonds4

About 2-methyl-3-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid

2-methyl-3-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid (PubChem CID 110835158) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-methyl-3-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid
PubChem CID110835158
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2-methyl-3-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid
SMILESCc1coc(C(=O)NCC(C)C(=O)O)n1
InChIInChI=1S/C9H12N2O4/c1-5(9(13)14)3-10-7(12)8-11-6(2)4-15-8/h4-5H,3H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyBEMXBPFIUUXUFE-UHFFFAOYSA-N
XLogP0.43
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid
CID 83617838
2-methyl-3-(1,3-oxazole-2-carbonylamino)propanoic acid
CID 83617836
(2S,3S)-3-methyl-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]pentanoic acid
CID 110835139
(2S)-2-methyl-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid
CID 94540901
2-methyl-3-(1,2-oxazole-4-carbonylamino)propanoic acid
CID 83617820
4-(4-methyl-1,3-oxazol-2-yl)-4-oxobutanoic acid
CID 82407415
2-methyl-3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 62675825
2-methyl-3-[(6-oxopyran-3-carbonyl)amino]propanoic acid
CID 62675301
3-[(5-bromofuran-3-carbonyl)amino]-2-methylpropanoic acid
CID 115731390
2-methyl-3-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]propanoic acid
CID 119237089
2-methyl-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid
CID 106752586
3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 62674249

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid (CID 110835158) is 2-methyl-3-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid is Cc1coc(C(=O)NCC(C)C(=O)O)n1.
What is the InChIKey of 2-methyl-3-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid?
The InChIKey is BEMXBPFIUUXUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-5(9(13)14)3-10-7(12)8-11-6(2)4-15-8/h4-5H,3H2,1-2H3,(H,10,12)(H,13,14).
What are the key properties of 2-methyl-3-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid?
2-methyl-3-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid has a molecular weight of 212.20 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 110835158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).