5-(2-methylpropyl)-6-oxopiperazine-2-carboxylic acid

C9H16N2O3 — CID 59008337

IUPAC5-(2-methylpropyl)-6-oxopiperazine-2-carboxylic acid
SMILESCC(C)CC1NCC(C(=O)O)NC1=O
InChIInChI=1S/C9H16N2O3/c1-5(2)3-6-8(12)11-7(4-10-6)9(13)14/h5-7,10H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyKAVSHIGYWSGRTA-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.43
Rot. Bonds3

About 5-(2-methylpropyl)-6-oxopiperazine-2-carboxylic acid

5-(2-methylpropyl)-6-oxopiperazine-2-carboxylic acid (PubChem CID 59008337) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 5-(2-methylpropyl)-6-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylpropyl)-6-oxopiperazine-2-carboxylic acid
PubChem CID59008337
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name5-(2-methylpropyl)-6-oxopiperazine-2-carboxylic acid
SMILESCC(C)CC1NCC(C(=O)O)NC1=O
InChIInChI=1S/C9H16N2O3/c1-5(2)3-6-8(12)11-7(4-10-6)9(13)14/h5-7,10H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyKAVSHIGYWSGRTA-UHFFFAOYSA-N
XLogP-0.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-6-oxopiperazine-2-carboxylic acid?
The IUPAC name of 5-(2-methylpropyl)-6-oxopiperazine-2-carboxylic acid (CID 59008337) is 5-(2-methylpropyl)-6-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 5-(2-methylpropyl)-6-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 5-(2-methylpropyl)-6-oxopiperazine-2-carboxylic acid is CC(C)CC1NCC(C(=O)O)NC1=O.
What is the InChIKey of 5-(2-methylpropyl)-6-oxopiperazine-2-carboxylic acid?
The InChIKey is KAVSHIGYWSGRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-5(2)3-6-8(12)11-7(4-10-6)9(13)14/h5-7,10H,3-4H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 5-(2-methylpropyl)-6-oxopiperazine-2-carboxylic acid?
5-(2-methylpropyl)-6-oxopiperazine-2-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of -0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-6-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 59008337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).