4-[(4-ethyl-3-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid

C15H29N3O3 — CID 63616366

IUPAC4-[(4-ethyl-3-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCCN1CCN(C(=O)N(CCCC(=O)O)C(C)C)CC1C
InChIInChI=1S/C15H29N3O3/c1-5-16-9-10-17(11-13(16)4)15(21)18(12(2)3)8-6-7-14(19)20/h12-13H,5-11H2,1-4H3,(H,19,20)
InChIKeyOYWRJGTWGDSRAL-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.71
Rot. Bonds6

About 4-[(4-ethyl-3-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid

4-[(4-ethyl-3-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid (PubChem CID 63616366) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-[(4-ethyl-3-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(4-ethyl-3-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid
PubChem CID63616366
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name4-[(4-ethyl-3-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCCN1CCN(C(=O)N(CCCC(=O)O)C(C)C)CC1C
InChIInChI=1S/C15H29N3O3/c1-5-16-9-10-17(11-13(16)4)15(21)18(12(2)3)8-6-7-14(19)20/h12-13H,5-11H2,1-4H3,(H,19,20)
InChIKeyOYWRJGTWGDSRAL-UHFFFAOYSA-N
XLogP1.71
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-3-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(4-ethyl-3-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid (CID 63616366) is 4-[(4-ethyl-3-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(4-ethyl-3-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(4-ethyl-3-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid is CCN1CCN(C(=O)N(CCCC(=O)O)C(C)C)CC1C.
What is the InChIKey of 4-[(4-ethyl-3-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid?
The InChIKey is OYWRJGTWGDSRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-5-16-9-10-17(11-13(16)4)15(21)18(12(2)3)8-6-7-14(19)20/h12-13H,5-11H2,1-4H3,(H,19,20).
What are the key properties of 4-[(4-ethyl-3-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid?
4-[(4-ethyl-3-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid has a molecular weight of 299.42 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-3-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 63616366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).