2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]acetic acid

C10H16N2O3 — CID 83821117

IUPAC2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]acetic acid
SMILESCc1noc(C)c1CCN(C)CC(=O)O
InChIInChI=1S/C10H16N2O3/c1-7-9(8(2)15-11-7)4-5-12(3)6-10(13)14/h4-6H2,1-3H3,(H,13,14)
InChIKeyWYJHSQHAXFGBPC-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.85
Rot. Bonds5

About 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]acetic acid

2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]acetic acid (PubChem CID 83821117) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]acetic acid
PubChem CID83821117
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]acetic acid
SMILESCc1noc(C)c1CCN(C)CC(=O)O
InChIInChI=1S/C10H16N2O3/c1-7-9(8(2)15-11-7)4-5-12(3)6-10(13)14/h4-6H2,1-3H3,(H,13,14)
InChIKeyWYJHSQHAXFGBPC-UHFFFAOYSA-N
XLogP0.85
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl-methylamino]acetic acid
CID 43239752
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethylpropanamide
CID 60645997
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-ethylamino]acetic acid
CID 61011467
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 47010607
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62231610
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 154889006
2-[carboxymethyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 79242133
N-[2-(dimethylamino)-2-oxoethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 86908122
2-[2-(dimethylamino)ethyl-(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid
CID 107423686
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetic acid
CID 2106598
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)propanamide
CID 78847324
(3,5-dimethyl-1,2-oxazol-4-yl)-methylcarbamic acid
CID 149149378

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]acetic acid?
The IUPAC name of 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]acetic acid (CID 83821117) is 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]acetic acid.
What is the SMILES notation for 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]acetic acid?
The canonical SMILES for 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]acetic acid is Cc1noc(C)c1CCN(C)CC(=O)O.
What is the InChIKey of 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]acetic acid?
The InChIKey is WYJHSQHAXFGBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7-9(8(2)15-11-7)4-5-12(3)6-10(13)14/h4-6H2,1-3H3,(H,13,14).
What are the key properties of 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]acetic acid?
2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]acetic acid has a molecular weight of 212.25 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]acetic acid is sourced from PubChem (CID 83821117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).