5-oxo-1-(2,3,3-trimethylbutylcarbamoyl)piperazine-2-carboxylic acid

C13H23N3O4 — CID 107439163

IUPAC5-oxo-1-(2,3,3-trimethylbutylcarbamoyl)piperazine-2-carboxylic acid
SMILESCC(CNC(=O)N1CC(=O)NCC1C(=O)O)C(C)(C)C
InChIInChI=1S/C13H23N3O4/c1-8(13(2,3)4)5-15-12(20)16-7-10(17)14-6-9(16)11(18)19/h8-9H,5-7H2,1-4H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeyYLWKPSZXCTYHCM-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.26
Rot. Bonds3

About 5-oxo-1-(2,3,3-trimethylbutylcarbamoyl)piperazine-2-carboxylic acid

5-oxo-1-(2,3,3-trimethylbutylcarbamoyl)piperazine-2-carboxylic acid (PubChem CID 107439163) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 5-oxo-1-(2,3,3-trimethylbutylcarbamoyl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(2,3,3-trimethylbutylcarbamoyl)piperazine-2-carboxylic acid
PubChem CID107439163
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name5-oxo-1-(2,3,3-trimethylbutylcarbamoyl)piperazine-2-carboxylic acid
SMILESCC(CNC(=O)N1CC(=O)NCC1C(=O)O)C(C)(C)C
InChIInChI=1S/C13H23N3O4/c1-8(13(2,3)4)5-15-12(20)16-7-10(17)14-6-9(16)11(18)19/h8-9H,5-7H2,1-4H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeyYLWKPSZXCTYHCM-UHFFFAOYSA-N
XLogP0.26
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylsulfanylpropylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 107439258
1-[2-(dimethylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107437245
1-(2-cyclopropylpropan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 114111615
1-(hexan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 107438610
1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 106039103
1-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107439289
5-oxo-1-(5,5,5-trifluoropentylcarbamoyl)piperazine-2-carboxylic acid
CID 107439094
5-oxo-1-(2-propan-2-ylsulfanylacetyl)piperazine-2-carboxylic acid
CID 107432944
1-[3-(methanesulfonamido)propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 106340351
1-[2-(carbamoylamino)propanoyl]-5-oxopiperazine-2-carboxylic acid
CID 107432994
1-(2-methylpropoxycarbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107435066
1-[(2-methylpyrazol-3-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107438736

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2,3,3-trimethylbutylcarbamoyl)piperazine-2-carboxylic acid?
The IUPAC name of 5-oxo-1-(2,3,3-trimethylbutylcarbamoyl)piperazine-2-carboxylic acid (CID 107439163) is 5-oxo-1-(2,3,3-trimethylbutylcarbamoyl)piperazine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(2,3,3-trimethylbutylcarbamoyl)piperazine-2-carboxylic acid?
The canonical SMILES for 5-oxo-1-(2,3,3-trimethylbutylcarbamoyl)piperazine-2-carboxylic acid is CC(CNC(=O)N1CC(=O)NCC1C(=O)O)C(C)(C)C.
What is the InChIKey of 5-oxo-1-(2,3,3-trimethylbutylcarbamoyl)piperazine-2-carboxylic acid?
The InChIKey is YLWKPSZXCTYHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-8(13(2,3)4)5-15-12(20)16-7-10(17)14-6-9(16)11(18)19/h8-9H,5-7H2,1-4H3,(H,14,17)(H,15,20)(H,18,19).
What are the key properties of 5-oxo-1-(2,3,3-trimethylbutylcarbamoyl)piperazine-2-carboxylic acid?
5-oxo-1-(2,3,3-trimethylbutylcarbamoyl)piperazine-2-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2,3,3-trimethylbutylcarbamoyl)piperazine-2-carboxylic acid is sourced from PubChem (CID 107439163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).