methyl 2-[[1-(cyclobutylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]acetate

C15H26N2O4 — CID 45251710

IUPACmethyl 2-[[1-(cyclobutylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]acetate
SMILESCOC(=O)CN(C)CC1(O)CCCN(CC2CCC2)C1=O
InChIInChI=1S/C15H26N2O4/c1-16(10-13(18)21-2)11-15(20)7-4-8-17(14(15)19)9-12-5-3-6-12/h12,20H,3-11H2,1-2H3
InChIKeyLGLOFXGBVFWILE-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.24
Rot. Bonds6

About methyl 2-[[1-(cyclobutylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]acetate

methyl 2-[[1-(cyclobutylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]acetate (PubChem CID 45251710) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is methyl 2-[[1-(cyclobutylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(cyclobutylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]acetate
PubChem CID45251710
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Namemethyl 2-[[1-(cyclobutylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]acetate
SMILESCOC(=O)CN(C)CC1(O)CCCN(CC2CCC2)C1=O
InChIInChI=1S/C15H26N2O4/c1-16(10-13(18)21-2)11-15(20)7-4-8-17(14(15)19)9-12-5-3-6-12/h12,20H,3-11H2,1-2H3
InChIKeyLGLOFXGBVFWILE-UHFFFAOYSA-N
XLogP0.24
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(cyclobutylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]acetate?
The IUPAC name of methyl 2-[[1-(cyclobutylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]acetate (CID 45251710) is methyl 2-[[1-(cyclobutylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[[1-(cyclobutylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]acetate?
The canonical SMILES for methyl 2-[[1-(cyclobutylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]acetate is COC(=O)CN(C)CC1(O)CCCN(CC2CCC2)C1=O.
What is the InChIKey of methyl 2-[[1-(cyclobutylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]acetate?
The InChIKey is LGLOFXGBVFWILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-16(10-13(18)21-2)11-15(20)7-4-8-17(14(15)19)9-12-5-3-6-12/h12,20H,3-11H2,1-2H3.
What are the key properties of methyl 2-[[1-(cyclobutylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]acetate?
methyl 2-[[1-(cyclobutylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]acetate has a molecular weight of 298.38 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(cyclobutylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]acetate is sourced from PubChem (CID 45251710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).