methyl 2-hydroxy-2-methyl-3-[(1-methylpiperidin-4-yl)amino]propanoate

C11H22N2O3 — CID 104643923

IUPACmethyl 2-hydroxy-2-methyl-3-[(1-methylpiperidin-4-yl)amino]propanoate
SMILESCOC(=O)C(C)(O)CNC1CCN(C)CC1
InChIInChI=1S/C11H22N2O3/c1-11(15,10(14)16-3)8-12-9-4-6-13(2)7-5-9/h9,12,15H,4-8H2,1-3H3
InChIKeyDCNPMCHVMNROHM-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.41
Rot. Bonds4

About methyl 2-hydroxy-2-methyl-3-[(1-methylpiperidin-4-yl)amino]propanoate

methyl 2-hydroxy-2-methyl-3-[(1-methylpiperidin-4-yl)amino]propanoate (PubChem CID 104643923) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methyl-3-[(1-methylpiperidin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methyl-3-[(1-methylpiperidin-4-yl)amino]propanoate
PubChem CID104643923
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 2-hydroxy-2-methyl-3-[(1-methylpiperidin-4-yl)amino]propanoate
SMILESCOC(=O)C(C)(O)CNC1CCN(C)CC1
InChIInChI=1S/C11H22N2O3/c1-11(15,10(14)16-3)8-12-9-4-6-13(2)7-5-9/h9,12,15H,4-8H2,1-3H3
InChIKeyDCNPMCHVMNROHM-UHFFFAOYSA-N
XLogP-0.41
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methyl-3-[(1-methylpiperidin-4-yl)amino]propanoate?
The IUPAC name of methyl 2-hydroxy-2-methyl-3-[(1-methylpiperidin-4-yl)amino]propanoate (CID 104643923) is methyl 2-hydroxy-2-methyl-3-[(1-methylpiperidin-4-yl)amino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-2-methyl-3-[(1-methylpiperidin-4-yl)amino]propanoate?
The canonical SMILES for methyl 2-hydroxy-2-methyl-3-[(1-methylpiperidin-4-yl)amino]propanoate is COC(=O)C(C)(O)CNC1CCN(C)CC1.
What is the InChIKey of methyl 2-hydroxy-2-methyl-3-[(1-methylpiperidin-4-yl)amino]propanoate?
The InChIKey is DCNPMCHVMNROHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(15,10(14)16-3)8-12-9-4-6-13(2)7-5-9/h9,12,15H,4-8H2,1-3H3.
What are the key properties of methyl 2-hydroxy-2-methyl-3-[(1-methylpiperidin-4-yl)amino]propanoate?
methyl 2-hydroxy-2-methyl-3-[(1-methylpiperidin-4-yl)amino]propanoate has a molecular weight of 230.31 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-methyl-3-[(1-methylpiperidin-4-yl)amino]propanoate is sourced from PubChem (CID 104643923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).