methyl 2-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate

C8H12N2O3 — CID 131448183

IUPACmethyl 2-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
SMILESCOC(=O)C(N)c1c(C)noc1C
InChIInChI=1S/C8H12N2O3/c1-4-6(5(2)13-10-4)7(9)8(11)12-3/h7H,9H2,1-3H3
InChIKeyTTZGLXUGGWRDQZ-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.46
Rot. Bonds2

About methyl 2-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate

methyl 2-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate (PubChem CID 131448183) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is methyl 2-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
PubChem CID131448183
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Namemethyl 2-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
SMILESCOC(=O)C(N)c1c(C)noc1C
InChIInChI=1S/C8H12N2O3/c1-4-6(5(2)13-10-4)7(9)8(11)12-3/h7H,9H2,1-3H3
InChIKeyTTZGLXUGGWRDQZ-UHFFFAOYSA-N
XLogP0.46
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]butanoate
CID 115353489
2-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methoxypropanamide;hydrochloride
CID 120993315
2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxypropanamide
CID 81102218
2-(3,5-dimethyl-1,2-oxazol-4-yl)propanedioic acid
CID 162373151
(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine;hydrochloride
CID 127263741
methyl (E)-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]prop-2-enoate
CID 103255492
methyl 2-amino-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetate
CID 20624251
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
CID 115626660
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxypentanamide
CID 79237770
4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybenzamide
CID 104783070
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-difluoroacetamide
CID 103515802
3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 79236899

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
The IUPAC name of methyl 2-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate (CID 131448183) is methyl 2-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate.
What is the SMILES notation for methyl 2-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
The canonical SMILES for methyl 2-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate is COC(=O)C(N)c1c(C)noc1C.
What is the InChIKey of methyl 2-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
The InChIKey is TTZGLXUGGWRDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-4-6(5(2)13-10-4)7(9)8(11)12-3/h7H,9H2,1-3H3.
What are the key properties of methyl 2-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
methyl 2-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate has a molecular weight of 184.19 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate is sourced from PubChem (CID 131448183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).