1-(2-cyclopropylpropan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid

C12H19N3O4 — CID 114111615

IUPAC1-(2-cyclopropylpropan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
SMILESCC(C)(NC(=O)N1CC(=O)NCC1C(=O)O)C1CC1
InChIInChI=1S/C12H19N3O4/c1-12(2,7-3-4-7)14-11(19)15-6-9(16)13-5-8(15)10(17)18/h7-8H,3-6H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyMYOCIPAPXSOUDQ-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.23
Rot. Bonds3

About 1-(2-cyclopropylpropan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid

1-(2-cyclopropylpropan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid (PubChem CID 114111615) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(2-cyclopropylpropan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopropylpropan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
PubChem CID114111615
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name1-(2-cyclopropylpropan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
SMILESCC(C)(NC(=O)N1CC(=O)NCC1C(=O)O)C1CC1
InChIInChI=1S/C12H19N3O4/c1-12(2,7-3-4-7)14-11(19)15-6-9(16)13-5-8(15)10(17)18/h7-8H,3-6H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyMYOCIPAPXSOUDQ-UHFFFAOYSA-N
XLogP-0.23
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-(2,3,3-trimethylbutylcarbamoyl)piperazine-2-carboxylic acid
CID 107439163
1-(cyclohexylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 107435082
1-[(2,2-dimethylcyclohexyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107439003
1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432929
1-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107439289
1-[2-(dimethylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107437245
1-[(2-methylcycloheptyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107438930
1-[(2,6-dioxopiperidin-3-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107438943
1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107438078
1-(2-methylsulfanylpropylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 107439258
1-(morpholin-4-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 107439148
1-(hexan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 107438610

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpropan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-(2-cyclopropylpropan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid (CID 114111615) is 1-(2-cyclopropylpropan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopropylpropan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-(2-cyclopropylpropan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid is CC(C)(NC(=O)N1CC(=O)NCC1C(=O)O)C1CC1.
What is the InChIKey of 1-(2-cyclopropylpropan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid?
The InChIKey is MYOCIPAPXSOUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-12(2,7-3-4-7)14-11(19)15-6-9(16)13-5-8(15)10(17)18/h7-8H,3-6H2,1-2H3,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 1-(2-cyclopropylpropan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid?
1-(2-cyclopropylpropan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpropan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 114111615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).