3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid

C10H14N2O4 — CID 115909849

IUPAC3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid
SMILESCCC(C)(CC(=O)O)NC(=O)c1ccon1
InChIInChI=1S/C10H14N2O4/c1-3-10(2,6-8(13)14)11-9(15)7-4-5-16-12-7/h4-5H,3,6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyCOIQTEYMTOXXDZ-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.05
Rot. Bonds5

About 3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid

3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid (PubChem CID 115909849) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid
PubChem CID115909849
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid
SMILESCCC(C)(CC(=O)O)NC(=O)c1ccon1
InChIInChI=1S/C10H14N2O4/c1-3-10(2,6-8(13)14)11-9(15)7-4-5-16-12-7/h4-5H,3,6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyCOIQTEYMTOXXDZ-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid?
The IUPAC name of 3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid (CID 115909849) is 3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid.
What is the SMILES notation for 3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid?
The canonical SMILES for 3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid is CCC(C)(CC(=O)O)NC(=O)c1ccon1.
What is the InChIKey of 3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid?
The InChIKey is COIQTEYMTOXXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-3-10(2,6-8(13)14)11-9(15)7-4-5-16-12-7/h4-5H,3,6H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid?
3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid has a molecular weight of 226.23 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid is sourced from PubChem (CID 115909849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).