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

C9H14N2O5 — CID 64683018

IUPAC2-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethoxy]acetic acid
SMILESCN1CCN(C(=O)COCC(=O)O)CC1=O
InChIInChI=1S/C9H14N2O5/c1-10-2-3-11(4-7(10)12)8(13)5-16-6-9(14)15/h2-6H2,1H3,(H,14,15)
InChIKeyOZNWYHHWDQFBKQ-UHFFFAOYSA-N
MW230.22 g/mol
LogP-1.61
Rot. Bonds4

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

2-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethoxy]acetic acid (PubChem CID 64683018) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethoxy]acetic acid
PubChem CID64683018
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name2-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethoxy]acetic acid
SMILESCN1CCN(C(=O)COCC(=O)O)CC1=O
InChIInChI=1S/C9H14N2O5/c1-10-2-3-11(4-7(10)12)8(13)5-16-6-9(14)15/h2-6H2,1H3,(H,14,15)
InChIKeyOZNWYHHWDQFBKQ-UHFFFAOYSA-N
XLogP-1.61
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-1.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-propanoylpiperazin-2-one
CID 64693548
1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,4-diazepan-2-one
CID 102847813
2-[1-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 64679856
4-butanoyl-1-methylpiperazin-2-one
CID 64693337
2-[2-oxo-2-(4-propanoyl-1,4-diazepan-1-yl)ethoxy]acetic acid
CID 61328087
1-(4-methyl-3-oxopiperazin-1-yl)butane-1,3-dione
CID 64680135
1-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 110708045
ethyl 3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropanoate
CID 110476247
2-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]acetic acid
CID 55004213
2-[2-(4-methoxycarbonylpiperazin-1-yl)-2-oxoethoxy]acetic acid
CID 61328279
2-[carboxymethyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]acetic acid
CID 64693480
1-methyl-4-[3-(methylamino)propanoyl]piperazin-2-one
CID 64681606

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethoxy]acetic acid (CID 64683018) is 2-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethoxy]acetic acid is CN1CCN(C(=O)COCC(=O)O)CC1=O.
What is the InChIKey of 2-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethoxy]acetic acid?
The InChIKey is OZNWYHHWDQFBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5/c1-10-2-3-11(4-7(10)12)8(13)5-16-6-9(14)15/h2-6H2,1H3,(H,14,15).
What are the key properties of 2-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethoxy]acetic acid?
2-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethoxy]acetic acid has a molecular weight of 230.22 g/mol, XLogP of -1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 64683018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).