3-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid

C10H19N3O3 — CID 43397019

IUPAC3-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid
SMILESCNC(=O)CN1CCN(CCC(=O)O)CC1
InChIInChI=1S/C10H19N3O3/c1-11-9(14)8-13-6-4-12(5-7-13)3-2-10(15)16/h2-8H2,1H3,(H,11,14)(H,15,16)
InChIKeyUMZMOTCKKPQVEN-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.18
Rot. Bonds5

About 3-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid

3-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid (PubChem CID 43397019) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid
PubChem CID43397019
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name3-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid
SMILESCNC(=O)CN1CCN(CCC(=O)O)CC1
InChIInChI=1S/C10H19N3O3/c1-11-9(14)8-13-6-4-12(5-7-13)3-2-10(15)16/h2-8H2,1H3,(H,11,14)(H,15,16)
InChIKeyUMZMOTCKKPQVEN-UHFFFAOYSA-N
XLogP-1.18
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
(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
3-[4-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperazin-1-yl]propanoic acid
CID 43522396
2-Acetamido-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid
CID 64582925
3-[4-[2-(2,2,2-Trifluoroethylamino)acetyl]piperazin-1-yl]propanoic acid
CID 79261526
1-[1-Oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]piperazine-2-carboxylic acid
CID 116153603
2,2-Difluoro-3-(3-oxopiperazin-1-yl)propanoic acid
CID 165466795
Methyl 3-(3-oxopiperazin-1-yl)propanoate
CID 2095714

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid (CID 43397019) is 3-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid is CNC(=O)CN1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid?
The InChIKey is UMZMOTCKKPQVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-11-9(14)8-13-6-4-12(5-7-13)3-2-10(15)16/h2-8H2,1H3,(H,11,14)(H,15,16).
What are the key properties of 3-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid?
3-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid has a molecular weight of 229.28 g/mol, XLogP of -1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 43397019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).