2-[(4-ethyl-3-methylpiperazine-1-carbonyl)-methylamino]propanoic acid

C12H23N3O3 — CID 63614715

IUPAC2-[(4-ethyl-3-methylpiperazine-1-carbonyl)-methylamino]propanoic acid
SMILESCCN1CCN(C(=O)N(C)C(C)C(=O)O)CC1C
InChIInChI=1S/C12H23N3O3/c1-5-14-6-7-15(8-9(14)2)12(18)13(4)10(3)11(16)17/h9-10H,5-8H2,1-4H3,(H,16,17)
InChIKeyGIUAKLNYQIUMIM-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.54
Rot. Bonds3

About 2-[(4-ethyl-3-methylpiperazine-1-carbonyl)-methylamino]propanoic acid

2-[(4-ethyl-3-methylpiperazine-1-carbonyl)-methylamino]propanoic acid (PubChem CID 63614715) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[(4-ethyl-3-methylpiperazine-1-carbonyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(4-ethyl-3-methylpiperazine-1-carbonyl)-methylamino]propanoic acid
PubChem CID63614715
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-[(4-ethyl-3-methylpiperazine-1-carbonyl)-methylamino]propanoic acid
SMILESCCN1CCN(C(=O)N(C)C(C)C(=O)O)CC1C
InChIInChI=1S/C12H23N3O3/c1-5-14-6-7-15(8-9(14)2)12(18)13(4)10(3)11(16)17/h9-10H,5-8H2,1-4H3,(H,16,17)
InChIKeyGIUAKLNYQIUMIM-UHFFFAOYSA-N
XLogP0.54
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-3-methylpiperazine-1-carbonyl)-methylamino]propanoic acid?
The IUPAC name of 2-[(4-ethyl-3-methylpiperazine-1-carbonyl)-methylamino]propanoic acid (CID 63614715) is 2-[(4-ethyl-3-methylpiperazine-1-carbonyl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(4-ethyl-3-methylpiperazine-1-carbonyl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(4-ethyl-3-methylpiperazine-1-carbonyl)-methylamino]propanoic acid is CCN1CCN(C(=O)N(C)C(C)C(=O)O)CC1C.
What is the InChIKey of 2-[(4-ethyl-3-methylpiperazine-1-carbonyl)-methylamino]propanoic acid?
The InChIKey is GIUAKLNYQIUMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-5-14-6-7-15(8-9(14)2)12(18)13(4)10(3)11(16)17/h9-10H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 2-[(4-ethyl-3-methylpiperazine-1-carbonyl)-methylamino]propanoic acid?
2-[(4-ethyl-3-methylpiperazine-1-carbonyl)-methylamino]propanoic acid has a molecular weight of 257.33 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-3-methylpiperazine-1-carbonyl)-methylamino]propanoic acid is sourced from PubChem (CID 63614715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).