tert-butyl (5S)-5-(aminomethyl)-2,2-dimethylmorpholine-4-carboxylate

C12H24N2O3 — CID 155291086

IUPACtert-butyl (5S)-5-(aminomethyl)-2,2-dimethylmorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C)(C)OC[C@@H]1CN
InChIInChI=1S/C12H24N2O3/c1-11(2,3)17-10(15)14-8-12(4,5)16-7-9(14)6-13/h9H,6-8,13H2,1-5H3/t9-/m0/s1
InChIKeyKASFWBBKNJFEGM-VIFPVBQESA-N
MW244.33 g/mol
LogP1.36
Rot. Bonds1

About tert-butyl (5S)-5-(aminomethyl)-2,2-dimethylmorpholine-4-carboxylate

tert-butyl (5S)-5-(aminomethyl)-2,2-dimethylmorpholine-4-carboxylate (PubChem CID 155291086) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl (5S)-5-(aminomethyl)-2,2-dimethylmorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S)-5-(aminomethyl)-2,2-dimethylmorpholine-4-carboxylate
PubChem CID155291086
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl (5S)-5-(aminomethyl)-2,2-dimethylmorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C)(C)OC[C@@H]1CN
InChIInChI=1S/C12H24N2O3/c1-11(2,3)17-10(15)14-8-12(4,5)16-7-9(14)6-13/h9H,6-8,13H2,1-5H3/t9-/m0/s1
InChIKeyKASFWBBKNJFEGM-VIFPVBQESA-N
XLogP1.36
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-(aminomethyl)-5,5-dimethylpiperidine-1-carboxylate
CID 124603858
tert-butyl (8S)-8-(aminomethyl)-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate
CID 71743237
tert-butyl 8-(aminomethyl)-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate
CID 78166496
tert-butyl 2-(aminomethyl)-4,4-difluoropyrrolidine-1-carboxylate
CID 122411574
tert-butyl 5-cyano-2,2-dimethylmorpholine-4-carboxylate
CID 155291753
tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride
CID 84819306
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
tert-butyl (2R,3R)-3-(aminomethyl)-2-ethylazetidine-1-carboxylate
CID 163850757
tert-butyl (1S,4S)-1-(aminomethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
CID 124704153
tert-butyl (2R,4S)-4-amino-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 131124333
tert-butyl (4S)-4-(aminomethyl)-1,3-thiazolidine-3-carboxylate
CID 7145120
tert-butyl (2S)-3-amino-2-methylazetidine-1-carboxylate
CID 135397248

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5S)-5-(aminomethyl)-2,2-dimethylmorpholine-4-carboxylate?
The IUPAC name of tert-butyl (5S)-5-(aminomethyl)-2,2-dimethylmorpholine-4-carboxylate (CID 155291086) is tert-butyl (5S)-5-(aminomethyl)-2,2-dimethylmorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (5S)-5-(aminomethyl)-2,2-dimethylmorpholine-4-carboxylate?
The canonical SMILES for tert-butyl (5S)-5-(aminomethyl)-2,2-dimethylmorpholine-4-carboxylate is CC(C)(C)OC(=O)N1CC(C)(C)OC[C@@H]1CN.
What is the InChIKey of tert-butyl (5S)-5-(aminomethyl)-2,2-dimethylmorpholine-4-carboxylate?
The InChIKey is KASFWBBKNJFEGM-VIFPVBQESA-N. The full InChI is InChI=1S/C12H24N2O3/c1-11(2,3)17-10(15)14-8-12(4,5)16-7-9(14)6-13/h9H,6-8,13H2,1-5H3/t9-/m0/s1.
What are the key properties of tert-butyl (5S)-5-(aminomethyl)-2,2-dimethylmorpholine-4-carboxylate?
tert-butyl (5S)-5-(aminomethyl)-2,2-dimethylmorpholine-4-carboxylate has a molecular weight of 244.33 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S)-5-(aminomethyl)-2,2-dimethylmorpholine-4-carboxylate is sourced from PubChem (CID 155291086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).