3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]propanoic acid

C10H19N3O3 — CID 43466689

IUPAC3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]propanoic acid
SMILESCN1CCN(C(=O)CNCCC(=O)O)CC1
InChIInChI=1S/C10H19N3O3/c1-12-4-6-13(7-5-12)9(14)8-11-3-2-10(15)16/h11H,2-8H2,1H3,(H,15,16)
InChIKeyRIOHELRUJBZZAK-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.18
Rot. Bonds5

About 3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]propanoic acid

3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]propanoic acid (PubChem CID 43466689) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]propanoic acid
PubChem CID43466689
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]propanoic acid
SMILESCN1CCN(C(=O)CNCCC(=O)O)CC1
InChIInChI=1S/C10H19N3O3/c1-12-4-6-13(7-5-12)9(14)8-11-3-2-10(15)16/h11H,2-8H2,1H3,(H,15,16)
InChIKeyRIOHELRUJBZZAK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]propanoic acid (CID 43466689) is 3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]propanoic acid is CN1CCN(C(=O)CNCCC(=O)O)CC1.
What is the InChIKey of 3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]propanoic acid?
The InChIKey is RIOHELRUJBZZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-12-4-6-13(7-5-12)9(14)8-11-3-2-10(15)16/h11H,2-8H2,1H3,(H,15,16).
What are the key properties of 3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]propanoic acid?
3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]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-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 43466689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).