methyl 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoate

C14H26N2O3 — CID 104644641

IUPACmethyl 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoate
SMILESCOC(=O)C(C)(O)CNC1CC2CCCC(C1)N2C
InChIInChI=1S/C14H26N2O3/c1-14(18,13(17)19-3)9-15-10-7-11-5-4-6-12(8-10)16(11)2/h10-12,15,18H,4-9H2,1-3H3
InChIKeyZKFRUJFFIZOQPA-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.52
Rot. Bonds4

About methyl 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoate

methyl 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoate (PubChem CID 104644641) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoate
PubChem CID104644641
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoate
SMILESCOC(=O)C(C)(O)CNC1CC2CCCC(C1)N2C
InChIInChI=1S/C14H26N2O3/c1-14(18,13(17)19-3)9-15-10-7-11-5-4-6-12(8-10)16(11)2/h10-12,15,18H,4-9H2,1-3H3
InChIKeyZKFRUJFFIZOQPA-UHFFFAOYSA-N
XLogP0.52
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoate with MolForge

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Related Compounds

Methyl 3-(4-aminopiperidin-1-yl)-2-hydroxy-2-methylpropanoate
CID 64471018
Methyl 2-hydroxy-2-methyl-3-[methyl(piperidin-4-yl)amino]propanoate
CID 64471235
Methyl 2-hydroxy-2-methyl-3-[piperidin-4-yl(propyl)amino]propanoate
CID 64471237
Methyl 3-[ethyl(piperidin-4-yl)amino]-2-hydroxy-2-methylpropanoate
CID 64471447
Methyl 2-hydroxy-2-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)propanoate
CID 64473372
Methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-methylpropanoate
CID 102850460
Methyl 3-(cyclooctylamino)-2-hydroxy-2-methylpropanoate
CID 104643694
Methyl 2-hydroxy-2-methyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate
CID 104643713
Methyl 2-hydroxy-2-methyl-3-[(1-methylpiperidin-4-yl)amino]propanoate
CID 104643923
Methyl 3-[3-[cyclohexyl(methyl)amino]propylamino]-2-hydroxy-2-methylpropanoate
CID 104644041
Methyl 2-hydroxy-2-methyl-3-[(1-propylpiperidin-4-yl)amino]propanoate
CID 104644224
Methyl 2-hydroxy-2-methyl-3-[(1-methylpiperidin-2-yl)methylamino]propanoate
CID 104644271

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoate?
The IUPAC name of methyl 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoate (CID 104644641) is methyl 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoate?
The canonical SMILES for methyl 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoate is COC(=O)C(C)(O)CNC1CC2CCCC(C1)N2C.
What is the InChIKey of methyl 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoate?
The InChIKey is ZKFRUJFFIZOQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(18,13(17)19-3)9-15-10-7-11-5-4-6-12(8-10)16(11)2/h10-12,15,18H,4-9H2,1-3H3.
What are the key properties of methyl 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoate?
methyl 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoate has a molecular weight of 270.37 g/mol, XLogP of 0.52, 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-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoate is sourced from PubChem (CID 104644641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).