3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]-5-oxopentanoic acid

C10H14N2O4 — CID 2732325

IUPAC3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]-5-oxopentanoic acid
SMILESCc1cc(NC(=O)CC(C)CC(=O)O)no1
InChIInChI=1S/C10H14N2O4/c1-6(4-10(14)15)3-9(13)11-8-5-7(2)16-12-8/h5-6H,3-4H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyGUPVSSZMOKLSBL-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.42
Rot. Bonds5

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

3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]-5-oxopentanoic acid (PubChem CID 2732325) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]-5-oxopentanoic acid
PubChem CID2732325
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]-5-oxopentanoic acid
SMILESCc1cc(NC(=O)CC(C)CC(=O)O)no1
InChIInChI=1S/C10H14N2O4/c1-6(4-10(14)15)3-9(13)11-8-5-7(2)16-12-8/h5-6H,3-4H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyGUPVSSZMOKLSBL-UHFFFAOYSA-N
XLogP1.42
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]-5-oxopentanoic acid (CID 2732325) is 3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]-5-oxopentanoic acid is Cc1cc(NC(=O)CC(C)CC(=O)O)no1.
What is the InChIKey of 3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]-5-oxopentanoic acid?
The InChIKey is GUPVSSZMOKLSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-6(4-10(14)15)3-9(13)11-8-5-7(2)16-12-8/h5-6H,3-4H2,1-2H3,(H,14,15)(H,11,12,13).
What are the key properties of 3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]-5-oxopentanoic acid?
3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]-5-oxopentanoic acid has a molecular weight of 226.23 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 2732325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).