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

C11H16N2O4 — CID 16773389

IUPAC3-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1cnoc1C)C(=O)O
InChIInChI=1S/C11H16N2O4/c1-4-6(2)9(11(15)16)13-10(14)8-5-12-17-7(8)3/h5-6,9H,4H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyZPCQQBNLKLGQSS-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.21
Rot. Bonds5

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

3-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid (PubChem CID 16773389) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
PubChem CID16773389
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name3-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1cnoc1C)C(=O)O
InChIInChI=1S/C11H16N2O4/c1-4-6(2)9(11(15)16)13-10(14)8-5-12-17-7(8)3/h5-6,9H,4H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyZPCQQBNLKLGQSS-UHFFFAOYSA-N
XLogP1.21
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid (CID 16773389) is 3-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid is CCC(C)C(NC(=O)c1cnoc1C)C(=O)O.
What is the InChIKey of 3-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid?
The InChIKey is ZPCQQBNLKLGQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-4-6(2)9(11(15)16)13-10(14)8-5-12-17-7(8)3/h5-6,9H,4H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 3-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid?
3-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid has a molecular weight of 240.26 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 16773389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).