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

C10H20N2O3 — CID 143643875

IUPACethane;2-(1-ethyl-3-oxopiperazin-2-yl)acetic acid
SMILESCC.CCN1CCNC(=O)C1CC(=O)O
InChIInChI=1S/C8H14N2O3.C2H6/c1-2-10-4-3-9-8(13)6(10)5-7(11)12;1-2/h6H,2-5H2,1H3,(H,9,13)(H,11,12);1-2H3
InChIKeyAWEWRNGCEOIONB-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.31
Rot. Bonds3

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

ethane;2-(1-ethyl-3-oxopiperazin-2-yl)acetic acid (PubChem CID 143643875) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethane;2-(1-ethyl-3-oxopiperazin-2-yl)acetic acid.

Molecular Properties

Compound Nameethane;2-(1-ethyl-3-oxopiperazin-2-yl)acetic acid
PubChem CID143643875
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nameethane;2-(1-ethyl-3-oxopiperazin-2-yl)acetic acid
SMILESCC.CCN1CCNC(=O)C1CC(=O)O
InChIInChI=1S/C8H14N2O3.C2H6/c1-2-10-4-3-9-8(13)6(10)5-7(11)12;1-2/h6H,2-5H2,1H3,(H,9,13)(H,11,12);1-2H3
InChIKeyAWEWRNGCEOIONB-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(1-ethyl-3-oxopiperazin-2-yl)acetic acid?
The IUPAC name of ethane;2-(1-ethyl-3-oxopiperazin-2-yl)acetic acid (CID 143643875) is ethane;2-(1-ethyl-3-oxopiperazin-2-yl)acetic acid.
What is the SMILES notation for ethane;2-(1-ethyl-3-oxopiperazin-2-yl)acetic acid?
The canonical SMILES for ethane;2-(1-ethyl-3-oxopiperazin-2-yl)acetic acid is CC.CCN1CCNC(=O)C1CC(=O)O.
What is the InChIKey of ethane;2-(1-ethyl-3-oxopiperazin-2-yl)acetic acid?
The InChIKey is AWEWRNGCEOIONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3.C2H6/c1-2-10-4-3-9-8(13)6(10)5-7(11)12;1-2/h6H,2-5H2,1H3,(H,9,13)(H,11,12);1-2H3.
What are the key properties of ethane;2-(1-ethyl-3-oxopiperazin-2-yl)acetic acid?
ethane;2-(1-ethyl-3-oxopiperazin-2-yl)acetic acid has a molecular weight of 216.28 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(1-ethyl-3-oxopiperazin-2-yl)acetic acid is sourced from PubChem (CID 143643875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).