methyl (3S,5S)-5-(aminomethyl)morpholine-3-carboxylate

C7H14N2O3 — CID 141446845

IUPACmethyl (3S,5S)-5-(aminomethyl)morpholine-3-carboxylate
SMILESCOC(=O)[C@@H]1COC[C@H](CN)N1
InChIInChI=1S/C7H14N2O3/c1-11-7(10)6-4-12-3-5(2-8)9-6/h5-6,9H,2-4,8H2,1H3/t5-,6-/m0/s1
InChIKeyJDHMVTKNQFZCMX-WDSKDSINSA-N
MW174.20 g/mol
LogP-1.52
Rot. Bonds2

About methyl (3S,5S)-5-(aminomethyl)morpholine-3-carboxylate

methyl (3S,5S)-5-(aminomethyl)morpholine-3-carboxylate (PubChem CID 141446845) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is methyl (3S,5S)-5-(aminomethyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S,5S)-5-(aminomethyl)morpholine-3-carboxylate
PubChem CID141446845
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Namemethyl (3S,5S)-5-(aminomethyl)morpholine-3-carboxylate
SMILESCOC(=O)[C@@H]1COC[C@H](CN)N1
InChIInChI=1S/C7H14N2O3/c1-11-7(10)6-4-12-3-5(2-8)9-6/h5-6,9H,2-4,8H2,1H3/t5-,6-/m0/s1
InChIKeyJDHMVTKNQFZCMX-WDSKDSINSA-N
XLogP-1.52
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-cyclopentylmorpholine-3-carboxylate
CID 105466772
methyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate
CID 70678997
methyl (3S)-morpholine-3-carboxylate;hydrochloride
CID 42614245
methyl 2,9-dioxa-6-azaspiro[4.5]decane-7-carboxylate
CID 105453383
methyl (2S)-aziridine-2-carboxylate
CID 10329257
methyl (2S,5R)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 57118426
methyl 3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylate;hydrochloride
CID 118235868
3-methoxy-3-methyl-1-(5-methylmorpholin-3-yl)butan-2-one
CID 165475193
methyl (2R,5R)-5-methylpyrrolidine-2-carboxylate
CID 45089980
methyl 3-(oxetan-3-yl)-3-oxopropanoate
CID 137371745
methyl 2-(aminomethyl)-4,5-dihydro-1H-imidazole-5-carboxylate
CID 105430638
methyl 4-propyloxolane-3-carboxylate
CID 162735076

Frequently Asked Questions

What is the IUPAC name of methyl (3S,5S)-5-(aminomethyl)morpholine-3-carboxylate?
The IUPAC name of methyl (3S,5S)-5-(aminomethyl)morpholine-3-carboxylate (CID 141446845) is methyl (3S,5S)-5-(aminomethyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl (3S,5S)-5-(aminomethyl)morpholine-3-carboxylate?
The canonical SMILES for methyl (3S,5S)-5-(aminomethyl)morpholine-3-carboxylate is COC(=O)[C@@H]1COC[C@H](CN)N1.
What is the InChIKey of methyl (3S,5S)-5-(aminomethyl)morpholine-3-carboxylate?
The InChIKey is JDHMVTKNQFZCMX-WDSKDSINSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-11-7(10)6-4-12-3-5(2-8)9-6/h5-6,9H,2-4,8H2,1H3/t5-,6-/m0/s1.
What are the key properties of methyl (3S,5S)-5-(aminomethyl)morpholine-3-carboxylate?
methyl (3S,5S)-5-(aminomethyl)morpholine-3-carboxylate has a molecular weight of 174.20 g/mol, XLogP of -1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,5S)-5-(aminomethyl)morpholine-3-carboxylate is sourced from PubChem (CID 141446845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).