2-[methyl(2-piperazin-1-ylethyl)amino]butanoic acid

C11H23N3O2 — CID 64661581

IUPAC2-[methyl(2-piperazin-1-ylethyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(C)CCN1CCNCC1
InChIInChI=1S/C11H23N3O2/c1-3-10(11(15)16)13(2)8-9-14-6-4-12-5-7-14/h10,12H,3-9H2,1-2H3,(H,15,16)
InChIKeyIFCMEXBOMIBSFN-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.31
Rot. Bonds6

About 2-[methyl(2-piperazin-1-ylethyl)amino]butanoic acid

2-[methyl(2-piperazin-1-ylethyl)amino]butanoic acid (PubChem CID 64661581) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[methyl(2-piperazin-1-ylethyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[methyl(2-piperazin-1-ylethyl)amino]butanoic acid
PubChem CID64661581
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-[methyl(2-piperazin-1-ylethyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(C)CCN1CCNCC1
InChIInChI=1S/C11H23N3O2/c1-3-10(11(15)16)13(2)8-9-14-6-4-12-5-7-14/h10,12H,3-9H2,1-2H3,(H,15,16)
InChIKeyIFCMEXBOMIBSFN-UHFFFAOYSA-N
XLogP-0.31
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[methyl(2-piperazin-1-ylethyl)amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl(2-piperazin-1-ylethyl)amino]butanamide
CID 63266206
N-methyl-4-phenyl-N-(2-piperazin-1-ylethyl)butan-2-amine
CID 63267619
N-butyl-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide
CID 63266204
N,2-dimethyl-N-(2-piperazin-1-ylethyl)propanamide
CID 63265503
N-(methylcarbamoyl)-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide
CID 63266126
2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1-phenylbutan-1-one
CID 63207872
N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265460
2-[2-aminoethyl(methyl)amino]butanoic acid
CID 63654075
N-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide
CID 79161541
1-(4-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 63267366
N-butan-2-yl-N-methyl-4-piperazin-1-ylbutanamide
CID 112514504
2-methyl-3-[methyl(2-piperazin-1-ylethyl)amino]propanamide
CID 63265226

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-piperazin-1-ylethyl)amino]butanoic acid?
The IUPAC name of 2-[methyl(2-piperazin-1-ylethyl)amino]butanoic acid (CID 64661581) is 2-[methyl(2-piperazin-1-ylethyl)amino]butanoic acid.
What is the SMILES notation for 2-[methyl(2-piperazin-1-ylethyl)amino]butanoic acid?
The canonical SMILES for 2-[methyl(2-piperazin-1-ylethyl)amino]butanoic acid is CCC(C(=O)O)N(C)CCN1CCNCC1.
What is the InChIKey of 2-[methyl(2-piperazin-1-ylethyl)amino]butanoic acid?
The InChIKey is IFCMEXBOMIBSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-10(11(15)16)13(2)8-9-14-6-4-12-5-7-14/h10,12H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[methyl(2-piperazin-1-ylethyl)amino]butanoic acid?
2-[methyl(2-piperazin-1-ylethyl)amino]butanoic acid has a molecular weight of 229.32 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-piperazin-1-ylethyl)amino]butanoic acid is sourced from PubChem (CID 64661581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).