5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C11H15N3O5 — CID 107427199

IUPAC5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCC1(C)C(=O)NCCN1C(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C11H15N3O5/c1-11(2)10(18)12-3-4-14(11)8(15)7-5-6(9(16)17)13-19-7/h7H,3-5H2,1-2H3,(H,12,18)(H,16,17)
InChIKeyXGUWXLDJFYOIFJ-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.05
Rot. Bonds2

About 5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107427199) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107427199
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCC1(C)C(=O)NCCN1C(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C11H15N3O5/c1-11(2)10(18)12-3-4-14(11)8(15)7-5-6(9(16)17)13-19-7/h7H,3-5H2,1-2H3,(H,12,18)(H,16,17)
InChIKeyXGUWXLDJFYOIFJ-UHFFFAOYSA-N
XLogP-1.05
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107427199) is 5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CC1(C)C(=O)NCCN1C(=O)C1CC(C(=O)O)=NO1.
What is the InChIKey of 5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is XGUWXLDJFYOIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-11(2)10(18)12-3-4-14(11)8(15)7-5-6(9(16)17)13-19-7/h7H,3-5H2,1-2H3,(H,12,18)(H,16,17).
What are the key properties of 5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of -1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107427199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).