2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]acetic acid

C9H12N2O4 — CID 110835189

IUPAC2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]acetic acid
SMILESCc1nc(C(=O)N(C)CC(=O)O)oc1C
InChIInChI=1S/C9H12N2O4/c1-5-6(2)15-8(10-5)9(14)11(3)4-7(12)13/h4H2,1-3H3,(H,12,13)
InChIKeyKKRQGPSFGFYFHY-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.45
Rot. Bonds3

About 2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]acetic acid

2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]acetic acid (PubChem CID 110835189) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]acetic acid
PubChem CID110835189
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]acetic acid
SMILESCc1nc(C(=O)N(C)CC(=O)O)oc1C
InChIInChI=1S/C9H12N2O4/c1-5-6(2)15-8(10-5)9(14)11(3)4-7(12)13/h4H2,1-3H3,(H,12,13)
InChIKeyKKRQGPSFGFYFHY-UHFFFAOYSA-N
XLogP0.45
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]-2-methylpropanoic acid
CID 110835201
2-[carboxymethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]acetic acid
CID 63646307
3-amino-1-(4,5-dimethyl-1,3-oxazol-2-yl)propan-1-one
CID 82413363
2-[(2,6-dimethylpyrimidine-4-carbonyl)-methylamino]acetic acid
CID 110836325
5-(aminomethyl)-N-benzyl-N,4-dimethyl-1,3-oxazole-2-carboxamide
CID 68805700
2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid
CID 114818756
3-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]-methylamino]butanoic acid
CID 110836138
2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid
CID 119346496
2-[(6,7-dimethyl-2-oxochromene-3-carbonyl)-methylamino]acetic acid
CID 22890145
2-[(5-chlorofuran-2-carbonyl)-methylamino]acetic acid
CID 28790003
2-[methyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid
CID 43522539
2-[methyl(1,2-oxazole-4-carbonyl)amino]acetic acid
CID 83617811

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]acetic acid (CID 110835189) is 2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]acetic acid is Cc1nc(C(=O)N(C)CC(=O)O)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]acetic acid?
The InChIKey is KKRQGPSFGFYFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-5-6(2)15-8(10-5)9(14)11(3)4-7(12)13/h4H2,1-3H3,(H,12,13).
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]acetic acid?
2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]acetic acid has a molecular weight of 212.20 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]acetic acid is sourced from PubChem (CID 110835189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).