4-(2-methyl-3-oxopiperazin-1-yl)butanoic acid

C9H16N2O3 — CID 63606812

IUPAC4-(2-methyl-3-oxopiperazin-1-yl)butanoic acid
SMILESCC1C(=O)NCCN1CCCC(=O)O
InChIInChI=1S/C9H16N2O3/c1-7-9(14)10-4-6-11(7)5-2-3-8(12)13/h7H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKeyRVGOJDWHKKGDDD-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.33
Rot. Bonds4

About 4-(2-methyl-3-oxopiperazin-1-yl)butanoic acid

4-(2-methyl-3-oxopiperazin-1-yl)butanoic acid (PubChem CID 63606812) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-(2-methyl-3-oxopiperazin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-methyl-3-oxopiperazin-1-yl)butanoic acid
PubChem CID63606812
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name4-(2-methyl-3-oxopiperazin-1-yl)butanoic acid
SMILESCC1C(=O)NCCN1CCCC(=O)O
InChIInChI=1S/C9H16N2O3/c1-7-9(14)10-4-6-11(7)5-2-3-8(12)13/h7H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKeyRVGOJDWHKKGDDD-UHFFFAOYSA-N
XLogP-0.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-3-oxopiperazin-1-yl)butanoic acid?
The IUPAC name of 4-(2-methyl-3-oxopiperazin-1-yl)butanoic acid (CID 63606812) is 4-(2-methyl-3-oxopiperazin-1-yl)butanoic acid.
What is the SMILES notation for 4-(2-methyl-3-oxopiperazin-1-yl)butanoic acid?
The canonical SMILES for 4-(2-methyl-3-oxopiperazin-1-yl)butanoic acid is CC1C(=O)NCCN1CCCC(=O)O.
What is the InChIKey of 4-(2-methyl-3-oxopiperazin-1-yl)butanoic acid?
The InChIKey is RVGOJDWHKKGDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-7-9(14)10-4-6-11(7)5-2-3-8(12)13/h7H,2-6H2,1H3,(H,10,14)(H,12,13).
What are the key properties of 4-(2-methyl-3-oxopiperazin-1-yl)butanoic acid?
4-(2-methyl-3-oxopiperazin-1-yl)butanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-3-oxopiperazin-1-yl)butanoic acid is sourced from PubChem (CID 63606812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).