ethyl 2-methyl-2-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propanoate

C15H31N3O2 — CID 62778005

IUPACethyl 2-methyl-2-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propanoate
SMILESCCOC(=O)C(C)(CN1CCN(CC(C)C)CC1)NC
InChIInChI=1S/C15H31N3O2/c1-6-20-14(19)15(4,16-5)12-18-9-7-17(8-10-18)11-13(2)3/h13,16H,6-12H2,1-5H3
InChIKeyOSDOYRFPLBUKMU-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.80
Rot. Bonds7

About ethyl 2-methyl-2-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propanoate

ethyl 2-methyl-2-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propanoate (PubChem CID 62778005) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is ethyl 2-methyl-2-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propanoate
PubChem CID62778005
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Nameethyl 2-methyl-2-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propanoate
SMILESCCOC(=O)C(C)(CN1CCN(CC(C)C)CC1)NC
InChIInChI=1S/C15H31N3O2/c1-6-20-14(19)15(4,16-5)12-18-9-7-17(8-10-18)11-13(2)3/h13,16H,6-12H2,1-5H3
InChIKeyOSDOYRFPLBUKMU-UHFFFAOYSA-N
XLogP0.80
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-methyl-2-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propanoate 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

ethyl 3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(methylamino)propanoate
CID 63971227
ethyl 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(methylamino)propanoate
CID 113418587
ethyl 2-methyl-2-(methylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate
CID 63165779
ethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate
CID 64582135
2-amino-2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propanoic acid
CID 62776938
ethyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 79184771
ethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate
CID 64706802
ethyl 2,2-difluoro-2-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]acetate
CID 114079444
ethyl 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 63635245
ethyl 2-methyl-2-(methylamino)-4-(1,4-oxazepan-4-yl)butanoate
CID 62974767
ethyl 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 62930956
ethyl 2-methyl-2-(methylamino)-4-(2-methylpropylsulfanyl)pentanoate
CID 64712158

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propanoate?
The IUPAC name of ethyl 2-methyl-2-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propanoate (CID 62778005) is ethyl 2-methyl-2-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propanoate?
The canonical SMILES for ethyl 2-methyl-2-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propanoate is CCOC(=O)C(C)(CN1CCN(CC(C)C)CC1)NC.
What is the InChIKey of ethyl 2-methyl-2-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propanoate?
The InChIKey is OSDOYRFPLBUKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-6-20-14(19)15(4,16-5)12-18-9-7-17(8-10-18)11-13(2)3/h13,16H,6-12H2,1-5H3.
What are the key properties of ethyl 2-methyl-2-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propanoate?
ethyl 2-methyl-2-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propanoate has a molecular weight of 285.43 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 62778005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).