methyl 4-methyl-2-(morpholine-4-carbonylamino)pentanoate

C12H22N2O4 — CID 4318319

IUPACmethyl 4-methyl-2-(morpholine-4-carbonylamino)pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)N1CCOCC1
InChIInChI=1S/C12H22N2O4/c1-9(2)8-10(11(15)17-3)13-12(16)14-4-6-18-7-5-14/h9-10H,4-8H2,1-3H3,(H,13,16)
InChIKeyLDOUBPICHHBOHD-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.62
Rot. Bonds4

About methyl 4-methyl-2-(morpholine-4-carbonylamino)pentanoate

methyl 4-methyl-2-(morpholine-4-carbonylamino)pentanoate (PubChem CID 4318319) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 4-methyl-2-(morpholine-4-carbonylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(morpholine-4-carbonylamino)pentanoate
PubChem CID4318319
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Namemethyl 4-methyl-2-(morpholine-4-carbonylamino)pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)N1CCOCC1
InChIInChI=1S/C12H22N2O4/c1-9(2)8-10(11(15)17-3)13-12(16)14-4-6-18-7-5-14/h9-10H,4-8H2,1-3H3,(H,13,16)
InChIKeyLDOUBPICHHBOHD-UHFFFAOYSA-N
XLogP0.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(morpholine-4-carbonylamino)pentanoate?
The IUPAC name of methyl 4-methyl-2-(morpholine-4-carbonylamino)pentanoate (CID 4318319) is methyl 4-methyl-2-(morpholine-4-carbonylamino)pentanoate.
What is the SMILES notation for methyl 4-methyl-2-(morpholine-4-carbonylamino)pentanoate?
The canonical SMILES for methyl 4-methyl-2-(morpholine-4-carbonylamino)pentanoate is COC(=O)C(CC(C)C)NC(=O)N1CCOCC1.
What is the InChIKey of methyl 4-methyl-2-(morpholine-4-carbonylamino)pentanoate?
The InChIKey is LDOUBPICHHBOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-9(2)8-10(11(15)17-3)13-12(16)14-4-6-18-7-5-14/h9-10H,4-8H2,1-3H3,(H,13,16).
What are the key properties of methyl 4-methyl-2-(morpholine-4-carbonylamino)pentanoate?
methyl 4-methyl-2-(morpholine-4-carbonylamino)pentanoate has a molecular weight of 258.32 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(morpholine-4-carbonylamino)pentanoate is sourced from PubChem (CID 4318319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).