3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid

C12H18N2O5 — CID 43171242

IUPAC3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid
SMILESCCC(C)C(NC(=O)COc1cc(C)on1)C(=O)O
InChIInChI=1S/C12H18N2O5/c1-4-7(2)11(12(16)17)13-9(15)6-18-10-5-8(3)19-14-10/h5,7,11H,4,6H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyNJUMSXPROBRODB-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.98
Rot. Bonds7

About 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid

3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid (PubChem CID 43171242) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid
PubChem CID43171242
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid
SMILESCCC(C)C(NC(=O)COc1cc(C)on1)C(=O)O
InChIInChI=1S/C12H18N2O5/c1-4-7(2)11(12(16)17)13-9(15)6-18-10-5-8(3)19-14-10/h5,7,11H,4,6H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyNJUMSXPROBRODB-UHFFFAOYSA-N
XLogP0.98
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid (CID 43171242) is 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid is CCC(C)C(NC(=O)COc1cc(C)on1)C(=O)O.
What is the InChIKey of 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid?
The InChIKey is NJUMSXPROBRODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-4-7(2)11(12(16)17)13-9(15)6-18-10-5-8(3)19-14-10/h5,7,11H,4,6H2,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid?
3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid has a molecular weight of 270.28 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid is sourced from PubChem (CID 43171242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).