methyl 4-[2-(cyclopentylamino)-2-oxoethyl]morpholine-2-carboxylate

C13H22N2O4 — CID 78926342

IUPACmethyl 4-[2-(cyclopentylamino)-2-oxoethyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(CC(=O)NC2CCCC2)CCO1
InChIInChI=1S/C13H22N2O4/c1-18-13(17)11-8-15(6-7-19-11)9-12(16)14-10-4-2-3-5-10/h10-11H,2-9H2,1H3,(H,14,16)
InChIKeyWTKINDZBVDLKJS-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.08
Rot. Bonds4

About methyl 4-[2-(cyclopentylamino)-2-oxoethyl]morpholine-2-carboxylate

methyl 4-[2-(cyclopentylamino)-2-oxoethyl]morpholine-2-carboxylate (PubChem CID 78926342) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 4-[2-(cyclopentylamino)-2-oxoethyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(cyclopentylamino)-2-oxoethyl]morpholine-2-carboxylate
PubChem CID78926342
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Namemethyl 4-[2-(cyclopentylamino)-2-oxoethyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(CC(=O)NC2CCCC2)CCO1
InChIInChI=1S/C13H22N2O4/c1-18-13(17)11-8-15(6-7-19-11)9-12(16)14-10-4-2-3-5-10/h10-11H,2-9H2,1H3,(H,14,16)
InChIKeyWTKINDZBVDLKJS-UHFFFAOYSA-N
XLogP-0.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-carbamothioylmorpholin-4-yl)-N-cyclopentylacetamide
CID 79681734
methyl 4-[2-(tert-butylamino)-2-oxoethyl]morpholine-2-carboxylate
CID 78926407
methyl 4-[2-oxo-2-(propylamino)ethyl]morpholine-2-carboxylate
CID 78926469
methyl 4-ethylmorpholine-2-carboxylate
CID 78926280
methyl 4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]morpholine-2-carboxylate
CID 115537416
2-[2-(aminomethyl)morpholin-4-yl]-N-cycloheptylacetamide
CID 62548940
methyl 4-(2-ethoxy-2-oxoethyl)morpholine-2-carboxylate
CID 78927241
methyl 4-[2-(benzylamino)-2-oxoethyl]morpholine-2-carboxylate
CID 78925882
methyl 4-[(E)-but-2-enyl]morpholine-2-carboxylate
CID 78926479
methyl 4-octylmorpholine-2-carboxylate
CID 79002818
N-cyclopentyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962574
methyl 4-(oxolan-3-ylmethyl)morpholine-2-carboxylate
CID 78926397

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(cyclopentylamino)-2-oxoethyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[2-(cyclopentylamino)-2-oxoethyl]morpholine-2-carboxylate (CID 78926342) is methyl 4-[2-(cyclopentylamino)-2-oxoethyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(cyclopentylamino)-2-oxoethyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[2-(cyclopentylamino)-2-oxoethyl]morpholine-2-carboxylate is COC(=O)C1CN(CC(=O)NC2CCCC2)CCO1.
What is the InChIKey of methyl 4-[2-(cyclopentylamino)-2-oxoethyl]morpholine-2-carboxylate?
The InChIKey is WTKINDZBVDLKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-18-13(17)11-8-15(6-7-19-11)9-12(16)14-10-4-2-3-5-10/h10-11H,2-9H2,1H3,(H,14,16).
What are the key properties of methyl 4-[2-(cyclopentylamino)-2-oxoethyl]morpholine-2-carboxylate?
methyl 4-[2-(cyclopentylamino)-2-oxoethyl]morpholine-2-carboxylate has a molecular weight of 270.33 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(cyclopentylamino)-2-oxoethyl]morpholine-2-carboxylate is sourced from PubChem (CID 78926342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).