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

C13H26N2O3 — CID 104644224

IUPACmethyl 2-hydroxy-2-methyl-3-[(1-propylpiperidin-4-yl)amino]propanoate
SMILESCCCN1CCC(NCC(C)(O)C(=O)OC)CC1
InChIInChI=1S/C13H26N2O3/c1-4-7-15-8-5-11(6-9-15)14-10-13(2,17)12(16)18-3/h11,14,17H,4-10H2,1-3H3
InChIKeyUIZZAVWHOUFMCD-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.37
Rot. Bonds6

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

methyl 2-hydroxy-2-methyl-3-[(1-propylpiperidin-4-yl)amino]propanoate (PubChem CID 104644224) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methyl-3-[(1-propylpiperidin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methyl-3-[(1-propylpiperidin-4-yl)amino]propanoate
PubChem CID104644224
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Namemethyl 2-hydroxy-2-methyl-3-[(1-propylpiperidin-4-yl)amino]propanoate
SMILESCCCN1CCC(NCC(C)(O)C(=O)OC)CC1
InChIInChI=1S/C13H26N2O3/c1-4-7-15-8-5-11(6-9-15)14-10-13(2,17)12(16)18-3/h11,14,17H,4-10H2,1-3H3
InChIKeyUIZZAVWHOUFMCD-UHFFFAOYSA-N
XLogP0.37
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.37
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-propylpiperidin-4-yl)amino]propanoate?
The IUPAC name of methyl 2-hydroxy-2-methyl-3-[(1-propylpiperidin-4-yl)amino]propanoate (CID 104644224) is methyl 2-hydroxy-2-methyl-3-[(1-propylpiperidin-4-yl)amino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-2-methyl-3-[(1-propylpiperidin-4-yl)amino]propanoate?
The canonical SMILES for methyl 2-hydroxy-2-methyl-3-[(1-propylpiperidin-4-yl)amino]propanoate is CCCN1CCC(NCC(C)(O)C(=O)OC)CC1.
What is the InChIKey of methyl 2-hydroxy-2-methyl-3-[(1-propylpiperidin-4-yl)amino]propanoate?
The InChIKey is UIZZAVWHOUFMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-7-15-8-5-11(6-9-15)14-10-13(2,17)12(16)18-3/h11,14,17H,4-10H2,1-3H3.
What are the key properties of methyl 2-hydroxy-2-methyl-3-[(1-propylpiperidin-4-yl)amino]propanoate?
methyl 2-hydroxy-2-methyl-3-[(1-propylpiperidin-4-yl)amino]propanoate has a molecular weight of 258.36 g/mol, XLogP of 0.37, 6 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-propylpiperidin-4-yl)amino]propanoate is sourced from PubChem (CID 104644224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).