ethyl 2-amino-3-(2,3,5-trimethylpiperidin-1-yl)propanoate

C13H26N2O2 — CID 114596345

IUPACethyl 2-amino-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
SMILESCCOC(=O)C(N)CN1CC(C)CC(C)C1C
InChIInChI=1S/C13H26N2O2/c1-5-17-13(16)12(14)8-15-7-9(2)6-10(3)11(15)4/h9-12H,5-8,14H2,1-4H3
InChIKeyJCCUZWOBJTUDOU-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.24
Rot. Bonds4

About ethyl 2-amino-3-(2,3,5-trimethylpiperidin-1-yl)propanoate

ethyl 2-amino-3-(2,3,5-trimethylpiperidin-1-yl)propanoate (PubChem CID 114596345) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl 2-amino-3-(2,3,5-trimethylpiperidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
PubChem CID114596345
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethyl 2-amino-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
SMILESCCOC(=O)C(N)CN1CC(C)CC(C)C1C
InChIInChI=1S/C13H26N2O2/c1-5-17-13(16)12(14)8-15-7-9(2)6-10(3)11(15)4/h9-12H,5-8,14H2,1-4H3
InChIKeyJCCUZWOBJTUDOU-UHFFFAOYSA-N
XLogP1.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-amino-3-(piperidin-1-yl)propanoate
CID 10988984
Methyl 2-amino-3-[3-(trifluoromethyl)piperidin-1-yl]propanoate
CID 65530052
Ethyl 2-(ethylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]propanoate
CID 65530441
Ethyl 2-amino-2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanoate
CID 65530630
Ethyl 2-(propylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]propanoate
CID 65530633
Ethyl 2-(propan-2-ylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]propanoate
CID 65530634
Ethyl 2-amino-3-[3-(trifluoromethyl)piperidin-1-yl]propanoate
CID 65531212
Ethyl 2-(methylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]propanoate
CID 65531408
Methyl 2-amino-3-[4-(trifluoromethyl)piperidin-1-yl]propanoate
CID 65531409
Ethyl 2-amino-2-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanoate
CID 65531801
Ethyl 2-(ethylamino)-3-[4-(trifluoromethyl)piperidin-1-yl]propanoate
CID 65531804
Ethyl 2-(propylamino)-3-[4-(trifluoromethyl)piperidin-1-yl]propanoate
CID 65531998

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(2,3,5-trimethylpiperidin-1-yl)propanoate?
The IUPAC name of ethyl 2-amino-3-(2,3,5-trimethylpiperidin-1-yl)propanoate (CID 114596345) is ethyl 2-amino-3-(2,3,5-trimethylpiperidin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(2,3,5-trimethylpiperidin-1-yl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(2,3,5-trimethylpiperidin-1-yl)propanoate is CCOC(=O)C(N)CN1CC(C)CC(C)C1C.
What is the InChIKey of ethyl 2-amino-3-(2,3,5-trimethylpiperidin-1-yl)propanoate?
The InChIKey is JCCUZWOBJTUDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-17-13(16)12(14)8-15-7-9(2)6-10(3)11(15)4/h9-12H,5-8,14H2,1-4H3.
What are the key properties of ethyl 2-amino-3-(2,3,5-trimethylpiperidin-1-yl)propanoate?
ethyl 2-amino-3-(2,3,5-trimethylpiperidin-1-yl)propanoate has a molecular weight of 242.36 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(2,3,5-trimethylpiperidin-1-yl)propanoate is sourced from PubChem (CID 114596345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).