2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid

C8H14N2O3 — CID 63600273

IUPAC2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid
SMILESCCC1C(=O)NCCN1CC(=O)O
InChIInChI=1S/C8H14N2O3/c1-2-6-8(13)9-3-4-10(6)5-7(11)12/h6H,2-5H2,1H3,(H,9,13)(H,11,12)
InChIKeyNMFGNBFHEPOHCI-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.72
Rot. Bonds3

About 2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid

2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid (PubChem CID 63600273) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid
PubChem CID63600273
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid
SMILESCCC1C(=O)NCCN1CC(=O)O
InChIInChI=1S/C8H14N2O3/c1-2-6-8(13)9-3-4-10(6)5-7(11)12/h6H,2-5H2,1H3,(H,9,13)(H,11,12)
InChIKeyNMFGNBFHEPOHCI-UHFFFAOYSA-N
XLogP-0.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-4-(2-oxopropyl)piperazin-2-one
CID 63600634
4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one
CID 63600469
3-ethyl-4-(2-oxo-3-phenylpropyl)piperazin-2-one
CID 63602203
3-ethyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one
CID 63601156
2-(2-ethyl-3-oxopiperazin-1-yl)propanoic acid
CID 63602723
3-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-2-one
CID 63602736
N-(4-aminophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide
CID 63602156
4-(2-amino-2-methylpropyl)-3-ethylpiperazin-2-one;hydrochloride
CID 131089454
3-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one;hydrochloride
CID 120981528
4-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-ethylpiperazin-2-one
CID 63601149
2-[(2-ethyl-3-oxopiperazin-1-yl)methyl]furan-3-carboxylic acid
CID 63600974
4-[(E)-3-chloroprop-2-enyl]-3-ethylpiperazin-2-one
CID 131234767

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid?
The IUPAC name of 2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid (CID 63600273) is 2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid is CCC1C(=O)NCCN1CC(=O)O.
What is the InChIKey of 2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid?
The InChIKey is NMFGNBFHEPOHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-2-6-8(13)9-3-4-10(6)5-7(11)12/h6H,2-5H2,1H3,(H,9,13)(H,11,12).
What are the key properties of 2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid?
2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid has a molecular weight of 186.21 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid is sourced from PubChem (CID 63600273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).