methyl (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoate

C16H27NO4 — CID 59972943

IUPACmethyl (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoate
SMILESCOC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1
InChIInChI=1S/C16H27NO4/c1-20-16(19)14(11-13-5-3-2-4-6-13)12-15(18)17-7-9-21-10-8-17/h13-14H,2-12H2,1H3/t14-/m1/s1
InChIKeyNPSOAJXPBBLCET-CQSZACIVSA-N
MW297.39 g/mol
LogP1.99
Rot. Bonds5

About methyl (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoate

methyl (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoate (PubChem CID 59972943) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is methyl (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoate
PubChem CID59972943
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Namemethyl (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoate
SMILESCOC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1
InChIInChI=1S/C16H27NO4/c1-20-16(19)14(11-13-5-3-2-4-6-13)12-15(18)17-7-9-21-10-8-17/h13-14H,2-12H2,1H3/t14-/m1/s1
InChIKeyNPSOAJXPBBLCET-CQSZACIVSA-N
XLogP1.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoate?
The IUPAC name of methyl (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoate (CID 59972943) is methyl (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoate.
What is the SMILES notation for methyl (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoate?
The canonical SMILES for methyl (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoate is COC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1.
What is the InChIKey of methyl (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoate?
The InChIKey is NPSOAJXPBBLCET-CQSZACIVSA-N. The full InChI is InChI=1S/C16H27NO4/c1-20-16(19)14(11-13-5-3-2-4-6-13)12-15(18)17-7-9-21-10-8-17/h13-14H,2-12H2,1H3/t14-/m1/s1.
What are the key properties of methyl (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoate?
methyl (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoate has a molecular weight of 297.39 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoate is sourced from PubChem (CID 59972943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).