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

C9H16N2O3 — CID 64695120

IUPAC2-(4-methyl-3-oxopiperazin-1-yl)butanoic acid
SMILESCCC(C(=O)O)N1CCN(C)C(=O)C1
InChIInChI=1S/C9H16N2O3/c1-3-7(9(13)14)11-5-4-10(2)8(12)6-11/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyMNOYCHGRXSNXBY-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.38
Rot. Bonds3

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

2-(4-methyl-3-oxopiperazin-1-yl)butanoic acid (PubChem CID 64695120) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(4-methyl-3-oxopiperazin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(4-methyl-3-oxopiperazin-1-yl)butanoic acid
PubChem CID64695120
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-(4-methyl-3-oxopiperazin-1-yl)butanoic acid
SMILESCCC(C(=O)O)N1CCN(C)C(=O)C1
InChIInChI=1S/C9H16N2O3/c1-3-7(9(13)14)11-5-4-10(2)8(12)6-11/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyMNOYCHGRXSNXBY-UHFFFAOYSA-N
XLogP-0.38
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-3-oxo-1,4-diazepan-1-yl)butanoic acid
CID 102889475
2-[4-(2-methylpropyl)-3-oxopiperazin-1-yl]butanoic acid
CID 122099739
(2S)-2-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]butanoic acid
CID 124623101
(2R)-2-[4-[(4-chlorophenyl)methyl]-3-oxopiperazin-1-yl]butanoic acid
CID 129401535
2-(3,5-dioxopiperazin-1-yl)butanoic acid
CID 66085713
2-(3-methyl-4-oxoimidazolidin-1-yl)butanamide
CID 130634425
1-methyl-4-pentan-2-ylpiperazin-2-one
CID 130708490
2-(azocan-1-yl)butanoic acid
CID 43808973
2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 64694323
4-[(2S)-2-hydroxybutyl]-1-methylpiperazin-2-one
CID 130841155
4-(4-amino-2,2-dimethylhexan-3-yl)-1-methylpiperazin-2-one
CID 64681107
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanoic acid
CID 64576109

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-oxopiperazin-1-yl)butanoic acid?
The IUPAC name of 2-(4-methyl-3-oxopiperazin-1-yl)butanoic acid (CID 64695120) is 2-(4-methyl-3-oxopiperazin-1-yl)butanoic acid.
What is the SMILES notation for 2-(4-methyl-3-oxopiperazin-1-yl)butanoic acid?
The canonical SMILES for 2-(4-methyl-3-oxopiperazin-1-yl)butanoic acid is CCC(C(=O)O)N1CCN(C)C(=O)C1.
What is the InChIKey of 2-(4-methyl-3-oxopiperazin-1-yl)butanoic acid?
The InChIKey is MNOYCHGRXSNXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-7(9(13)14)11-5-4-10(2)8(12)6-11/h7H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-methyl-3-oxopiperazin-1-yl)butanoic acid?
2-(4-methyl-3-oxopiperazin-1-yl)butanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-oxopiperazin-1-yl)butanoic acid is sourced from PubChem (CID 64695120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).