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

C12H20N2O3 — CID 110838641

IUPAC3-[1-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid
SMILESCc1nc(C(C)N(C)CC(C)C(=O)O)c(C)o1
InChIInChI=1S/C12H20N2O3/c1-7(12(15)16)6-14(5)8(2)11-9(3)17-10(4)13-11/h7-8H,6H2,1-5H3,(H,15,16)
InChIKeyXVZBFFJANZVEFF-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.00
Rot. Bonds5

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

3-[1-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid (PubChem CID 110838641) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-[1-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[1-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid
PubChem CID110838641
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-[1-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid
SMILESCc1nc(C(C)N(C)CC(C)C(=O)O)c(C)o1
InChIInChI=1S/C12H20N2O3/c1-7(12(15)16)6-14(5)8(2)11-9(3)17-10(4)13-11/h7-8H,6H2,1-5H3,(H,15,16)
InChIKeyXVZBFFJANZVEFF-UHFFFAOYSA-N
XLogP2.00
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[1-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid (CID 110838641) is 3-[1-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[1-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[1-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid is Cc1nc(C(C)N(C)CC(C)C(=O)O)c(C)o1.
What is the InChIKey of 3-[1-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid?
The InChIKey is XVZBFFJANZVEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-7(12(15)16)6-14(5)8(2)11-9(3)17-10(4)13-11/h7-8H,6H2,1-5H3,(H,15,16).
What are the key properties of 3-[1-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid?
3-[1-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid has a molecular weight of 240.30 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 110838641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).