1-(2-methylpropoxycarbonyl)-5-oxopiperazine-2-carboxylic acid

C10H16N2O5 — CID 107435066

IUPAC1-(2-methylpropoxycarbonyl)-5-oxopiperazine-2-carboxylic acid
SMILESCC(C)COC(=O)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C10H16N2O5/c1-6(2)5-17-10(16)12-4-8(13)11-3-7(12)9(14)15/h6-7H,3-5H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyWMKCUZZIXFQFAM-UHFFFAOYSA-N
MW244.25 g/mol
LogP-0.34
Rot. Bonds3

About 1-(2-methylpropoxycarbonyl)-5-oxopiperazine-2-carboxylic acid

1-(2-methylpropoxycarbonyl)-5-oxopiperazine-2-carboxylic acid (PubChem CID 107435066) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1-(2-methylpropoxycarbonyl)-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpropoxycarbonyl)-5-oxopiperazine-2-carboxylic acid
PubChem CID107435066
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name1-(2-methylpropoxycarbonyl)-5-oxopiperazine-2-carboxylic acid
SMILESCC(C)COC(=O)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C10H16N2O5/c1-6(2)5-17-10(16)12-4-8(13)11-3-7(12)9(14)15/h6-7H,3-5H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyWMKCUZZIXFQFAM-UHFFFAOYSA-N
XLogP-0.34
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxycarbonyl)-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-(2-methylpropoxycarbonyl)-5-oxopiperazine-2-carboxylic acid (CID 107435066) is 1-(2-methylpropoxycarbonyl)-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methylpropoxycarbonyl)-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-(2-methylpropoxycarbonyl)-5-oxopiperazine-2-carboxylic acid is CC(C)COC(=O)N1CC(=O)NCC1C(=O)O.
What is the InChIKey of 1-(2-methylpropoxycarbonyl)-5-oxopiperazine-2-carboxylic acid?
The InChIKey is WMKCUZZIXFQFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-6(2)5-17-10(16)12-4-8(13)11-3-7(12)9(14)15/h6-7H,3-5H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 1-(2-methylpropoxycarbonyl)-5-oxopiperazine-2-carboxylic acid?
1-(2-methylpropoxycarbonyl)-5-oxopiperazine-2-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxycarbonyl)-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107435066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).