3,3-dimethyl-5-(1,2-oxazol-4-ylcarbamoylamino)-5-oxopentanoic acid

C11H15N3O5 — CID 62934624

IUPAC3,3-dimethyl-5-(1,2-oxazol-4-ylcarbamoylamino)-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NC(=O)Nc1cnoc1
InChIInChI=1S/C11H15N3O5/c1-11(2,4-9(16)17)3-8(15)14-10(18)13-7-5-12-19-6-7/h5-6H,3-4H2,1-2H3,(H,16,17)(H2,13,14,15,18)
InChIKeyUHLVVTLIXWXANG-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.21
Rot. Bonds5

About 3,3-dimethyl-5-(1,2-oxazol-4-ylcarbamoylamino)-5-oxopentanoic acid

3,3-dimethyl-5-(1,2-oxazol-4-ylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 62934624) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3,3-dimethyl-5-(1,2-oxazol-4-ylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-(1,2-oxazol-4-ylcarbamoylamino)-5-oxopentanoic acid
PubChem CID62934624
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name3,3-dimethyl-5-(1,2-oxazol-4-ylcarbamoylamino)-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NC(=O)Nc1cnoc1
InChIInChI=1S/C11H15N3O5/c1-11(2,4-9(16)17)3-8(15)14-10(18)13-7-5-12-19-6-7/h5-6H,3-4H2,1-2H3,(H,16,17)(H2,13,14,15,18)
InChIKeyUHLVVTLIXWXANG-UHFFFAOYSA-N
XLogP1.21
TPSA121.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(1,2-oxazol-4-ylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of 3,3-dimethyl-5-(1,2-oxazol-4-ylcarbamoylamino)-5-oxopentanoic acid (CID 62934624) is 3,3-dimethyl-5-(1,2-oxazol-4-ylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-(1,2-oxazol-4-ylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-(1,2-oxazol-4-ylcarbamoylamino)-5-oxopentanoic acid is CC(C)(CC(=O)O)CC(=O)NC(=O)Nc1cnoc1.
What is the InChIKey of 3,3-dimethyl-5-(1,2-oxazol-4-ylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is UHLVVTLIXWXANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-11(2,4-9(16)17)3-8(15)14-10(18)13-7-5-12-19-6-7/h5-6H,3-4H2,1-2H3,(H,16,17)(H2,13,14,15,18).
What are the key properties of 3,3-dimethyl-5-(1,2-oxazol-4-ylcarbamoylamino)-5-oxopentanoic acid?
3,3-dimethyl-5-(1,2-oxazol-4-ylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 269.26 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(1,2-oxazol-4-ylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 62934624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).