6-oxo-5-propan-2-ylpiperazine-2-carboxylic acid

C8H14N2O3 — CID 59008370

IUPAC6-oxo-5-propan-2-ylpiperazine-2-carboxylic acid
SMILESCC(C)C1NCC(C(=O)O)NC1=O
InChIInChI=1S/C8H14N2O3/c1-4(2)6-7(11)10-5(3-9-6)8(12)13/h4-6,9H,3H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyBAPHHVQQIDUIMV-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.82
Rot. Bonds2

About 6-oxo-5-propan-2-ylpiperazine-2-carboxylic acid

6-oxo-5-propan-2-ylpiperazine-2-carboxylic acid (PubChem CID 59008370) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 6-oxo-5-propan-2-ylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name6-oxo-5-propan-2-ylpiperazine-2-carboxylic acid
PubChem CID59008370
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name6-oxo-5-propan-2-ylpiperazine-2-carboxylic acid
SMILESCC(C)C1NCC(C(=O)O)NC1=O
InChIInChI=1S/C8H14N2O3/c1-4(2)6-7(11)10-5(3-9-6)8(12)13/h4-6,9H,3H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyBAPHHVQQIDUIMV-UHFFFAOYSA-N
XLogP-0.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-5-propan-2-ylpiperazine-2-carboxylic acid?
The IUPAC name of 6-oxo-5-propan-2-ylpiperazine-2-carboxylic acid (CID 59008370) is 6-oxo-5-propan-2-ylpiperazine-2-carboxylic acid.
What is the SMILES notation for 6-oxo-5-propan-2-ylpiperazine-2-carboxylic acid?
The canonical SMILES for 6-oxo-5-propan-2-ylpiperazine-2-carboxylic acid is CC(C)C1NCC(C(=O)O)NC1=O.
What is the InChIKey of 6-oxo-5-propan-2-ylpiperazine-2-carboxylic acid?
The InChIKey is BAPHHVQQIDUIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-4(2)6-7(11)10-5(3-9-6)8(12)13/h4-6,9H,3H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 6-oxo-5-propan-2-ylpiperazine-2-carboxylic acid?
6-oxo-5-propan-2-ylpiperazine-2-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of -0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-5-propan-2-ylpiperazine-2-carboxylic acid is sourced from PubChem (CID 59008370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).