2-acetamido-3-(4-methylpiperazin-1-yl)propanoic acid

C10H19N3O3 — CID 22293919

IUPAC2-acetamido-3-(4-methylpiperazin-1-yl)propanoic acid
SMILESCC(=O)NC(CN1CCN(C)CC1)C(=O)O
InChIInChI=1S/C10H19N3O3/c1-8(14)11-9(10(15)16)7-13-5-3-12(2)4-6-13/h9H,3-7H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyVOYDAMSJKUQVEX-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.18
Rot. Bonds4

About 2-acetamido-3-(4-methylpiperazin-1-yl)propanoic acid

2-acetamido-3-(4-methylpiperazin-1-yl)propanoic acid (PubChem CID 22293919) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-acetamido-3-(4-methylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(4-methylpiperazin-1-yl)propanoic acid
PubChem CID22293919
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-acetamido-3-(4-methylpiperazin-1-yl)propanoic acid
SMILESCC(=O)NC(CN1CCN(C)CC1)C(=O)O
InChIInChI=1S/C10H19N3O3/c1-8(14)11-9(10(15)16)7-13-5-3-12(2)4-6-13/h9H,3-7H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyVOYDAMSJKUQVEX-UHFFFAOYSA-N
XLogP-1.18
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(4-methylpiperazin-1-yl)propanoic acid?
The IUPAC name of 2-acetamido-3-(4-methylpiperazin-1-yl)propanoic acid (CID 22293919) is 2-acetamido-3-(4-methylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(4-methylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(4-methylpiperazin-1-yl)propanoic acid is CC(=O)NC(CN1CCN(C)CC1)C(=O)O.
What is the InChIKey of 2-acetamido-3-(4-methylpiperazin-1-yl)propanoic acid?
The InChIKey is VOYDAMSJKUQVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-8(14)11-9(10(15)16)7-13-5-3-12(2)4-6-13/h9H,3-7H2,1-2H3,(H,11,14)(H,15,16).
What are the key properties of 2-acetamido-3-(4-methylpiperazin-1-yl)propanoic acid?
2-acetamido-3-(4-methylpiperazin-1-yl)propanoic acid has a molecular weight of 229.28 g/mol, XLogP of -1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(4-methylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 22293919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).