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

C7H12N2O3 — CID 55263568

IUPAC2-(4-methyl-3-oxopiperazin-1-yl)acetic acid
SMILESCN1CCN(CC(=O)O)CC1=O
InChIInChI=1S/C7H12N2O3/c1-8-2-3-9(4-6(8)10)5-7(11)12/h2-5H2,1H3,(H,11,12)
InChIKeyZELKCQNCMNDBLX-UHFFFAOYSA-N
MW172.18 g/mol
LogP-1.15
Rot. Bonds2

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

2-(4-methyl-3-oxopiperazin-1-yl)acetic acid (PubChem CID 55263568) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-(4-methyl-3-oxopiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-3-oxopiperazin-1-yl)acetic acid
PubChem CID55263568
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name2-(4-methyl-3-oxopiperazin-1-yl)acetic acid
SMILESCN1CCN(CC(=O)O)CC1=O
InChIInChI=1S/C7H12N2O3/c1-8-2-3-9(4-6(8)10)5-7(11)12/h2-5H2,1H3,(H,11,12)
InChIKeyZELKCQNCMNDBLX-UHFFFAOYSA-N
XLogP-1.15
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-3-oxo-1,4-diazepan-1-yl)acetic acid
CID 102889426
ethyl 2-(4-methyl-3-oxopiperazin-1-yl)acetate
CID 64693243
N-ethyl-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
CID 166062321
4-(2-cyclohexyl-2-oxoethyl)-1-methylpiperazin-2-one
CID 104750864
1-methyl-4-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-2-one
CID 127979460
2-(4-cyclopropyl-3-oxopiperazin-1-yl)acetic acid
CID 55263569
4-(2-chloroethyl)-1-methylpiperazin-2-one
CID 125497778
4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one
CID 64694097
3,3,3-trifluoro-2-[(4-methyl-3-oxopiperazin-1-yl)methyl]propanoic acid
CID 80996020
4-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1-methylpiperazin-2-one
CID 64693041
4-butyl-1-methylpiperazin-2-one
CID 117005150
2-[5,11,18,21,24-pentakis(carboxymethyl)-3,13,16,26-tetraoxo-1,2,5,8,11,14,15,18,21,24-decazacyclohexacos-8-yl]acetic acid
CID 71344677

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-oxopiperazin-1-yl)acetic acid?
The IUPAC name of 2-(4-methyl-3-oxopiperazin-1-yl)acetic acid (CID 55263568) is 2-(4-methyl-3-oxopiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-methyl-3-oxopiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(4-methyl-3-oxopiperazin-1-yl)acetic acid is CN1CCN(CC(=O)O)CC1=O.
What is the InChIKey of 2-(4-methyl-3-oxopiperazin-1-yl)acetic acid?
The InChIKey is ZELKCQNCMNDBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-8-2-3-9(4-6(8)10)5-7(11)12/h2-5H2,1H3,(H,11,12).
What are the key properties of 2-(4-methyl-3-oxopiperazin-1-yl)acetic acid?
2-(4-methyl-3-oxopiperazin-1-yl)acetic acid has a molecular weight of 172.18 g/mol, XLogP of -1.15, 2 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)acetic acid is sourced from PubChem (CID 55263568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).