2-(1,4-dimethyl-3-oxopiperazin-2-yl)acetic acid

C8H14N2O3 — CID 53408603

IUPAC2-(1,4-dimethyl-3-oxopiperazin-2-yl)acetic acid
SMILESCN1CCN(C)C(CC(=O)O)C1=O
InChIInChI=1S/C8H14N2O3/c1-9-3-4-10(2)8(13)6(9)5-7(11)12/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyQIZZTMOGEMLFDI-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.77
Rot. Bonds2

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

2-(1,4-dimethyl-3-oxopiperazin-2-yl)acetic acid (PubChem CID 53408603) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(1,4-dimethyl-3-oxopiperazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1,4-dimethyl-3-oxopiperazin-2-yl)acetic acid
PubChem CID53408603
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-(1,4-dimethyl-3-oxopiperazin-2-yl)acetic acid
SMILESCN1CCN(C)C(CC(=O)O)C1=O
InChIInChI=1S/C8H14N2O3/c1-9-3-4-10(2)8(13)6(9)5-7(11)12/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyQIZZTMOGEMLFDI-UHFFFAOYSA-N
XLogP-0.77
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethyl-3-oxopiperazin-2-yl)acetic acid?
The IUPAC name of 2-(1,4-dimethyl-3-oxopiperazin-2-yl)acetic acid (CID 53408603) is 2-(1,4-dimethyl-3-oxopiperazin-2-yl)acetic acid.
What is the SMILES notation for 2-(1,4-dimethyl-3-oxopiperazin-2-yl)acetic acid?
The canonical SMILES for 2-(1,4-dimethyl-3-oxopiperazin-2-yl)acetic acid is CN1CCN(C)C(CC(=O)O)C1=O.
What is the InChIKey of 2-(1,4-dimethyl-3-oxopiperazin-2-yl)acetic acid?
The InChIKey is QIZZTMOGEMLFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-9-3-4-10(2)8(13)6(9)5-7(11)12/h6H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-(1,4-dimethyl-3-oxopiperazin-2-yl)acetic acid?
2-(1,4-dimethyl-3-oxopiperazin-2-yl)acetic acid has a molecular weight of 186.21 g/mol, XLogP of -0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethyl-3-oxopiperazin-2-yl)acetic acid is sourced from PubChem (CID 53408603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).