3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pentanoic acid

C11H16N2O4 — CID 81065524

IUPAC3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1cnoc1C)CC(=O)O
InChIInChI=1S/C11H16N2O4/c1-3-8(4-10(14)15)5-12-11(16)9-6-13-17-7(9)2/h6,8H,3-5H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyRITCFMLHDNGIJO-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.21
Rot. Bonds6

About 3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pentanoic acid

3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pentanoic acid (PubChem CID 81065524) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pentanoic acid
PubChem CID81065524
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1cnoc1C)CC(=O)O
InChIInChI=1S/C11H16N2O4/c1-3-8(4-10(14)15)5-12-11(16)9-6-13-17-7(9)2/h6,8H,3-5H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyRITCFMLHDNGIJO-UHFFFAOYSA-N
XLogP1.21
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pentanoic acid (CID 81065524) is 3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pentanoic acid is CCC(CNC(=O)c1cnoc1C)CC(=O)O.
What is the InChIKey of 3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is RITCFMLHDNGIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-3-8(4-10(14)15)5-12-11(16)9-6-13-17-7(9)2/h6,8H,3-5H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pentanoic acid?
3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 240.26 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 81065524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).