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

C9H16N2O3 — CID 43097633

IUPAC3-methyl-2-(3-oxopiperazin-1-yl)butanoic acid
SMILESCC(C)C(C(=O)O)N1CCNC(=O)C1
InChIInChI=1S/C9H16N2O3/c1-6(2)8(9(13)14)11-4-3-10-7(12)5-11/h6,8H,3-5H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyVTYWUXWNCNUDLB-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.47
Rot. Bonds3

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

3-methyl-2-(3-oxopiperazin-1-yl)butanoic acid (PubChem CID 43097633) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-methyl-2-(3-oxopiperazin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(3-oxopiperazin-1-yl)butanoic acid
PubChem CID43097633
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-methyl-2-(3-oxopiperazin-1-yl)butanoic acid
SMILESCC(C)C(C(=O)O)N1CCNC(=O)C1
InChIInChI=1S/C9H16N2O3/c1-6(2)8(9(13)14)11-4-3-10-7(12)5-11/h6,8H,3-5H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyVTYWUXWNCNUDLB-UHFFFAOYSA-N
XLogP-0.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(3-oxo-1,4-diazepan-1-yl)butanoic acid
CID 65366616
4-(4-oxopentan-2-yl)piperazin-2-one
CID 64698316
4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-2-one
CID 134062732
4-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one
CID 134038447
2-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 61181300
(2S)-3-methyl-2-piperidin-1-ylbutanoic acid
CID 42304661
(2S)-2-(azepan-1-yl)-3-methylbutanoic acid
CID 42309998
3-methyl-2-(4-propan-2-ylpiperazin-1-yl)butanoic acid
CID 43585421
4-(1-cyclopropylpropan-2-yl)piperazin-2-one
CID 130676033
2-(3-oxo-1,4-diazepan-1-yl)pentanoic acid
CID 83040888
4-[1-(4-chlorophenyl)ethyl]piperazin-2-one
CID 47358336
(2S)-N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide
CID 8516323

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-oxopiperazin-1-yl)butanoic acid?
The IUPAC name of 3-methyl-2-(3-oxopiperazin-1-yl)butanoic acid (CID 43097633) is 3-methyl-2-(3-oxopiperazin-1-yl)butanoic acid.
What is the SMILES notation for 3-methyl-2-(3-oxopiperazin-1-yl)butanoic acid?
The canonical SMILES for 3-methyl-2-(3-oxopiperazin-1-yl)butanoic acid is CC(C)C(C(=O)O)N1CCNC(=O)C1.
What is the InChIKey of 3-methyl-2-(3-oxopiperazin-1-yl)butanoic acid?
The InChIKey is VTYWUXWNCNUDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6(2)8(9(13)14)11-4-3-10-7(12)5-11/h6,8H,3-5H2,1-2H3,(H,10,12)(H,13,14).
What are the key properties of 3-methyl-2-(3-oxopiperazin-1-yl)butanoic acid?
3-methyl-2-(3-oxopiperazin-1-yl)butanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-oxopiperazin-1-yl)butanoic acid is sourced from PubChem (CID 43097633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).