methyl 2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate

C14H26N2O3 — CID 60964706

IUPACmethyl 2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
SMILESCOC(=O)C(C)CN(C)CC(=O)N1CCCCC1C
InChIInChI=1S/C14H26N2O3/c1-11(14(18)19-4)9-15(3)10-13(17)16-8-6-5-7-12(16)2/h11-12H,5-10H2,1-4H3
InChIKeyUNTANASPTPGUIK-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.13
Rot. Bonds5

About methyl 2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate

methyl 2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate (PubChem CID 60964706) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
PubChem CID60964706
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
SMILESCOC(=O)C(C)CN(C)CC(=O)N1CCCCC1C
InChIInChI=1S/C14H26N2O3/c1-11(14(18)19-4)9-15(3)10-13(17)16-8-6-5-7-12(16)2/h11-12H,5-10H2,1-4H3
InChIKeyUNTANASPTPGUIK-UHFFFAOYSA-N
XLogP1.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]propanoate
CID 84589889
methyl (2S)-2-(dipropylcarbamoyl)piperidine-1-carboxylate
CID 10890952
Methyl 3-[acetyl(cyclohexyl)amino]-2-methylpropanoate
CID 13496247
ethyl N-cyclohexyl-N-[(4-methylpiperidin-1-yl)acetyl]-beta-alaninate
CID 91704993
Ethyl 3-[methyl(2-methylpropanoyl)amino]piperidine-1-carboxylate
CID 57906526
3-[[2-(2,6-Dimethylpiperidin-1-yl)acetyl]-methylamino]propanoic acid
CID 70869059
Methyl 4-(cyclobutylmethyl)-2-ethyl-1-methyl-3-oxopiperazin-1-ium-1-carboxylate
CID 87371828
Methyl 2-(dipropylcarbamoyl)piperidine-1-carboxylate
CID 10923621
Methyl 3-(4-acetylpiperazin-1-yl)-2-methylpropanoate
CID 43398407
Methyl 3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-methylpropanoate
CID 43538196
Methyl 2-deuterio-2-(dipropylcarbamoyl)piperidine-1-carboxylate
CID 44550099
methyl (2R)-2-(dimethylcarbamoyl)piperidine-1-carboxylate
CID 44550101

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate (CID 60964706) is methyl 2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate is COC(=O)C(C)CN(C)CC(=O)N1CCCCC1C.
What is the InChIKey of methyl 2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate?
The InChIKey is UNTANASPTPGUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11(14(18)19-4)9-15(3)10-13(17)16-8-6-5-7-12(16)2/h11-12H,5-10H2,1-4H3.
What are the key properties of methyl 2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate?
methyl 2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate has a molecular weight of 270.37 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate is sourced from PubChem (CID 60964706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).