2-[ethyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylpropanoic acid

C13H25N3O3 — CID 55123375

IUPAC2-[ethyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(=O)N1CCN(C)CC1)C(C)(C)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-5-16(13(2,3)12(18)19)10-11(17)15-8-6-14(4)7-9-15/h5-10H2,1-4H3,(H,18,19)
InChIKeyLPERZGPFIRWVSG-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.05
Rot. Bonds5

About 2-[ethyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylpropanoic acid

2-[ethyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylpropanoic acid (PubChem CID 55123375) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[ethyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylpropanoic acid
PubChem CID55123375
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-[ethyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(=O)N1CCN(C)CC1)C(C)(C)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-5-16(13(2,3)12(18)19)10-11(17)15-8-6-14(4)7-9-15/h5-10H2,1-4H3,(H,18,19)
InChIKeyLPERZGPFIRWVSG-UHFFFAOYSA-N
XLogP-0.05
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylpropanoic 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-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62822717
2-[methanidyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 123763074
2-[(1-amino-2-methylbutan-2-yl)-propylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 62009786
1-(4-aminopiperidin-1-yl)-2-[tert-butyl(ethyl)amino]ethanone
CID 39259440
2-[ethyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 83020326
2,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)-4-oxobutanoic acid
CID 65297555
2-[2,2-dimethylpropyl(ethyl)amino]-2-methylpropanoic acid
CID 65061531
2-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid
CID 62820146
2-methyl-3-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 55007832
2-[ethyl-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]amino]-2-methylpropanoic acid
CID 65061623
2-bromo-1-(4-methylpiperazin-1-yl)ethanone;chloromethane
CID 161165311
N-butyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113158629

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylpropanoic acid (CID 55123375) is 2-[ethyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylpropanoic acid is CCN(CC(=O)N1CCN(C)CC1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylpropanoic acid?
The InChIKey is LPERZGPFIRWVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-5-16(13(2,3)12(18)19)10-11(17)15-8-6-14(4)7-9-15/h5-10H2,1-4H3,(H,18,19).
What are the key properties of 2-[ethyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylpropanoic acid?
2-[ethyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylpropanoic acid has a molecular weight of 271.36 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 55123375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).