methyl 2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)propanoate

C16H30N2O3 — CID 63906853

IUPACmethyl 2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)propanoate
SMILESCCCNC(CN1CC(C)OC(C)C1)(C(=O)OC)C1CC1
InChIInChI=1S/C16H30N2O3/c1-5-8-17-16(14-6-7-14,15(19)20-4)11-18-9-12(2)21-13(3)10-18/h12-14,17H,5-11H2,1-4H3
InChIKeyAEFOSUZIFGBNPK-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.42
Rot. Bonds7

About methyl 2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)propanoate

methyl 2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)propanoate (PubChem CID 63906853) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is methyl 2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)propanoate
PubChem CID63906853
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Namemethyl 2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)propanoate
SMILESCCCNC(CN1CC(C)OC(C)C1)(C(=O)OC)C1CC1
InChIInChI=1S/C16H30N2O3/c1-5-8-17-16(14-6-7-14,15(19)20-4)11-18-9-12(2)21-13(3)10-18/h12-14,17H,5-11H2,1-4H3
InChIKeyAEFOSUZIFGBNPK-UHFFFAOYSA-N
XLogP1.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)propanoate?
The IUPAC name of methyl 2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)propanoate (CID 63906853) is methyl 2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)propanoate is CCCNC(CN1CC(C)OC(C)C1)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)propanoate?
The InChIKey is AEFOSUZIFGBNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-8-17-16(14-6-7-14,15(19)20-4)11-18-9-12(2)21-13(3)10-18/h12-14,17H,5-11H2,1-4H3.
What are the key properties of methyl 2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)propanoate?
methyl 2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)propanoate has a molecular weight of 298.43 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)propanoate is sourced from PubChem (CID 63906853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).