3-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoic acid

C12H23N3O3 — CID 43397018

IUPAC3-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoic acid
SMILESCCCNC(=O)CN1CCN(CCC(=O)O)CC1
InChIInChI=1S/C12H23N3O3/c1-2-4-13-11(16)10-15-8-6-14(7-9-15)5-3-12(17)18/h2-10H2,1H3,(H,13,16)(H,17,18)
InChIKeyASTAVEOUMPYYRB-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.40
Rot. Bonds7

About 3-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoic acid

3-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoic acid (PubChem CID 43397018) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoic acid
PubChem CID43397018
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name3-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoic acid
SMILESCCCNC(=O)CN1CCN(CCC(=O)O)CC1
InChIInChI=1S/C12H23N3O3/c1-2-4-13-11(16)10-15-8-6-14(7-9-15)5-3-12(17)18/h2-10H2,1H3,(H,13,16)(H,17,18)
InChIKeyASTAVEOUMPYYRB-UHFFFAOYSA-N
XLogP-0.40
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Oxopiperazine-2-carboxylic acid
CID 21304731
H-Gly-gly-beta-ala-OH
CID 7010488
3-(4-acetylpiperazin-1-yl)propanoic Acid
CID 2050699
3-((2-Acetamidoacetyl)amino)propanoic acid
CID 24703269
1-Methyl-5-oxopiperazine-2-carboxylic acid
CID 84107661
3-(3-Oxopiperazin-1-yl)propanoic acid
CID 28533671
3-Oxo-1-propyl-2-piperazineacetic acid
CID 53408734
Methyl 3-[2-(dimethylamino)acetamido]propanoate
CID 103603748
(1-Isopropyl-3-oxo-2-piperazinyl)acetic acid
CID 4207833
(2R)-4-propylpiperazine-2-carboxylic acid
CID 123581246
2,2-Dimethyl-3-(piperazin-1-yl)propanoic acid
CID 60205087
3-(2,5-Dioxopiperazin-1-yl)propanoic acid
CID 21792553

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoic acid (CID 43397018) is 3-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoic acid is CCCNC(=O)CN1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoic acid?
The InChIKey is ASTAVEOUMPYYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-2-4-13-11(16)10-15-8-6-14(7-9-15)5-3-12(17)18/h2-10H2,1H3,(H,13,16)(H,17,18).
What are the key properties of 3-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoic acid?
3-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoic acid has a molecular weight of 257.33 g/mol, XLogP of -0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 43397018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).