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

C11H20N2O3 — CID 83040885

IUPAC2-(2-ethyl-3-oxopiperazin-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1CCNC(=O)C1CC
InChIInChI=1S/C11H20N2O3/c1-3-5-9(11(15)16)13-7-6-12-10(14)8(13)4-2/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyPNEFPQVBYHPUSE-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.45
Rot. Bonds5

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

2-(2-ethyl-3-oxopiperazin-1-yl)pentanoic acid (PubChem CID 83040885) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(2-ethyl-3-oxopiperazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-(2-ethyl-3-oxopiperazin-1-yl)pentanoic acid
PubChem CID83040885
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-(2-ethyl-3-oxopiperazin-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1CCNC(=O)C1CC
InChIInChI=1S/C11H20N2O3/c1-3-5-9(11(15)16)13-7-6-12-10(14)8(13)4-2/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyPNEFPQVBYHPUSE-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethyl-3-oxopiperazin-1-yl)propanoic acid
CID 63602723
(2R)-2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid
CID 107566992
3-(2-ethyl-3-oxopiperazin-1-yl)pentanenitrile
CID 55215760
4-(2-aminopentanoyl)-3-ethylpiperazin-2-one
CID 63602807
2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid
CID 63600273
3-ethyl-4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]piperazin-2-one
CID 63601850
3-ethyl-4-(2-ethylhexanoyl)piperazin-2-one
CID 63600640
3-ethyl-4-(2-oxopropyl)piperazin-2-one
CID 63600634
3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one
CID 114282285
4-(2-bromopropanoyl)-3-ethylpiperazin-2-one
CID 107905248
3-amino-4-(2-ethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid
CID 64895581
2-(3-oxo-1,4-diazepan-1-yl)pentanoic acid
CID 83040888

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-oxopiperazin-1-yl)pentanoic acid?
The IUPAC name of 2-(2-ethyl-3-oxopiperazin-1-yl)pentanoic acid (CID 83040885) is 2-(2-ethyl-3-oxopiperazin-1-yl)pentanoic acid.
What is the SMILES notation for 2-(2-ethyl-3-oxopiperazin-1-yl)pentanoic acid?
The canonical SMILES for 2-(2-ethyl-3-oxopiperazin-1-yl)pentanoic acid is CCCC(C(=O)O)N1CCNC(=O)C1CC.
What is the InChIKey of 2-(2-ethyl-3-oxopiperazin-1-yl)pentanoic acid?
The InChIKey is PNEFPQVBYHPUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-5-9(11(15)16)13-7-6-12-10(14)8(13)4-2/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-(2-ethyl-3-oxopiperazin-1-yl)pentanoic acid?
2-(2-ethyl-3-oxopiperazin-1-yl)pentanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.45, 5 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)pentanoic acid is sourced from PubChem (CID 83040885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).