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

C12H18N2O4 — CID 110836138

IUPAC3-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]-methylamino]butanoic acid
SMILESCc1nc(CC(=O)N(C)C(C)CC(=O)O)oc1C
InChIInChI=1S/C12H18N2O4/c1-7(5-12(16)17)14(4)11(15)6-10-13-8(2)9(3)18-10/h7H,5-6H2,1-4H3,(H,16,17)
InChIKeyMTVYZUAJMQYQGS-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.16
Rot. Bonds5

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

3-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]-methylamino]butanoic acid (PubChem CID 110836138) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name3-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]-methylamino]butanoic acid
PubChem CID110836138
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name3-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]-methylamino]butanoic acid
SMILESCc1nc(CC(=O)N(C)C(C)CC(=O)O)oc1C
InChIInChI=1S/C12H18N2O4/c1-7(5-12(16)17)14(4)11(15)6-10-13-8(2)9(3)18-10/h7H,5-6H2,1-4H3,(H,16,17)
InChIKeyMTVYZUAJMQYQGS-UHFFFAOYSA-N
XLogP1.16
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]-methylamino]butanoic acid?
The IUPAC name of 3-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]-methylamino]butanoic acid (CID 110836138) is 3-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]-methylamino]butanoic acid.
What is the SMILES notation for 3-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]-methylamino]butanoic acid?
The canonical SMILES for 3-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]-methylamino]butanoic acid is Cc1nc(CC(=O)N(C)C(C)CC(=O)O)oc1C.
What is the InChIKey of 3-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]-methylamino]butanoic acid?
The InChIKey is MTVYZUAJMQYQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-7(5-12(16)17)14(4)11(15)6-10-13-8(2)9(3)18-10/h7H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 3-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]-methylamino]butanoic acid?
3-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]-methylamino]butanoic acid has a molecular weight of 254.29 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]-methylamino]butanoic acid is sourced from PubChem (CID 110836138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).