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

C12H24N2O3 — CID 104644271

IUPACmethyl 2-hydroxy-2-methyl-3-[(1-methylpiperidin-2-yl)methylamino]propanoate
SMILESCOC(=O)C(C)(O)CNCC1CCCCN1C
InChIInChI=1S/C12H24N2O3/c1-12(16,11(15)17-3)9-13-8-10-6-4-5-7-14(10)2/h10,13,16H,4-9H2,1-3H3
InChIKeyGMGUKAAYMDCFRQ-UHFFFAOYSA-N
MW244.33 g/mol
LogP-0.02
Rot. Bonds5

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

methyl 2-hydroxy-2-methyl-3-[(1-methylpiperidin-2-yl)methylamino]propanoate (PubChem CID 104644271) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methyl-3-[(1-methylpiperidin-2-yl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methyl-3-[(1-methylpiperidin-2-yl)methylamino]propanoate
PubChem CID104644271
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namemethyl 2-hydroxy-2-methyl-3-[(1-methylpiperidin-2-yl)methylamino]propanoate
SMILESCOC(=O)C(C)(O)CNCC1CCCCN1C
InChIInChI=1S/C12H24N2O3/c1-12(16,11(15)17-3)9-13-8-10-6-4-5-7-14(10)2/h10,13,16H,4-9H2,1-3H3
InChIKeyGMGUKAAYMDCFRQ-UHFFFAOYSA-N
XLogP-0.02
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.02
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-2-yl)methylamino]propanoate?
The IUPAC name of methyl 2-hydroxy-2-methyl-3-[(1-methylpiperidin-2-yl)methylamino]propanoate (CID 104644271) is methyl 2-hydroxy-2-methyl-3-[(1-methylpiperidin-2-yl)methylamino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-2-methyl-3-[(1-methylpiperidin-2-yl)methylamino]propanoate?
The canonical SMILES for methyl 2-hydroxy-2-methyl-3-[(1-methylpiperidin-2-yl)methylamino]propanoate is COC(=O)C(C)(O)CNCC1CCCCN1C.
What is the InChIKey of methyl 2-hydroxy-2-methyl-3-[(1-methylpiperidin-2-yl)methylamino]propanoate?
The InChIKey is GMGUKAAYMDCFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(16,11(15)17-3)9-13-8-10-6-4-5-7-14(10)2/h10,13,16H,4-9H2,1-3H3.
What are the key properties of methyl 2-hydroxy-2-methyl-3-[(1-methylpiperidin-2-yl)methylamino]propanoate?
methyl 2-hydroxy-2-methyl-3-[(1-methylpiperidin-2-yl)methylamino]propanoate has a molecular weight of 244.33 g/mol, XLogP of -0.02, 5 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-2-yl)methylamino]propanoate is sourced from PubChem (CID 104644271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).