methyl 5-cyclopentylmorpholine-3-carboxylate

C11H19NO3 — CID 105466772

IUPACmethyl 5-cyclopentylmorpholine-3-carboxylate
SMILESCOC(=O)C1COCC(C2CCCC2)N1
InChIInChI=1S/C11H19NO3/c1-14-11(13)10-7-15-6-9(12-10)8-4-2-3-5-8/h8-10,12H,2-7H2,1H3
InChIKeyOVVKWKSGFWATGS-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.71
Rot. Bonds2

About methyl 5-cyclopentylmorpholine-3-carboxylate

methyl 5-cyclopentylmorpholine-3-carboxylate (PubChem CID 105466772) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 5-cyclopentylmorpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyclopentylmorpholine-3-carboxylate
PubChem CID105466772
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 5-cyclopentylmorpholine-3-carboxylate
SMILESCOC(=O)C1COCC(C2CCCC2)N1
InChIInChI=1S/C11H19NO3/c1-14-11(13)10-7-15-6-9(12-10)8-4-2-3-5-8/h8-10,12H,2-7H2,1H3
InChIKeyOVVKWKSGFWATGS-UHFFFAOYSA-N
XLogP0.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopentylmorpholine-3-carboxylic acid
CID 105452111
methyl (2R,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate
CID 89197432
methyl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate
CID 161432755
methyl (3S,5S)-5-(aminomethyl)morpholine-3-carboxylate
CID 141446845
methyl 1,1-dioxo-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]thiazine-3-carboxylate
CID 65170998
methyl 5-cyclopropyl-1-oxo-1,4-thiazinane-3-carboxylate
CID 65171134
methyl (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxylate;hydrochloride
CID 43811016
methyl (2S,4S)-4-cyclopentylpyrrolidine-2-carboxylate
CID 163224942
methyl 5-cyclobutylmorpholine-2-carboxylate
CID 105452119
methyl 5-cyclohexylpiperidine-2-carboxylate
CID 146049469
methyl (3S)-morpholine-3-carboxylate;hydrochloride
CID 42614245
tert-butyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxylate
CID 66469091

Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclopentylmorpholine-3-carboxylate?
The IUPAC name of methyl 5-cyclopentylmorpholine-3-carboxylate (CID 105466772) is methyl 5-cyclopentylmorpholine-3-carboxylate.
What is the SMILES notation for methyl 5-cyclopentylmorpholine-3-carboxylate?
The canonical SMILES for methyl 5-cyclopentylmorpholine-3-carboxylate is COC(=O)C1COCC(C2CCCC2)N1.
What is the InChIKey of methyl 5-cyclopentylmorpholine-3-carboxylate?
The InChIKey is OVVKWKSGFWATGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-14-11(13)10-7-15-6-9(12-10)8-4-2-3-5-8/h8-10,12H,2-7H2,1H3.
What are the key properties of methyl 5-cyclopentylmorpholine-3-carboxylate?
methyl 5-cyclopentylmorpholine-3-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyclopentylmorpholine-3-carboxylate is sourced from PubChem (CID 105466772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).