tert-butyl 2-(aminomethyl)morpholine-4-carboxylate

C10H20N2O3 — CID 19081094

IUPACtert-butyl 2-(aminomethyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(CN)C1
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12/h8H,4-7,11H2,1-3H3
InChIKeyMTMBHUYOIZWQAJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.58
Rot. Bonds1

About tert-butyl 2-(aminomethyl)morpholine-4-carboxylate

tert-butyl 2-(aminomethyl)morpholine-4-carboxylate (PubChem CID 19081094) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl 2-(aminomethyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(aminomethyl)morpholine-4-carboxylate
PubChem CID19081094
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl 2-(aminomethyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(CN)C1
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12/h8H,4-7,11H2,1-3H3
InChIKeyMTMBHUYOIZWQAJ-UHFFFAOYSA-N
XLogP0.58
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
tert-butyl 2-(3-amino-3-oxopropyl)morpholine-4-carboxylate
CID 175429162
tert-butyl (2S)-2-(3-methoxy-3-oxopropyl)morpholine-4-carboxylate
CID 172685456
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 160517937
tert-butyl (2S)-2-ethylmorpholine-4-carboxylate;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione
CID 123628570
tert-butyl 7-ethyl-1,4-oxazepane-4-carboxylate
CID 159190237
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepan-2-yl]acetic acid
CID 177337580
tert-butyl 2-[(4-aminopyrazol-1-yl)methyl]morpholine-4-carboxylate
CID 118023184
tert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate
CID 77221533
(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 35549476
tert-butyl 4-(aminomethyl)-3-oxa-9-azaspiro[5.5]undecane-9-carboxylate;hydrochloride
CID 170913864
tert-butyl (2R)-2-[(2-oxo-4-sulfanylpyrrolidin-1-yl)methyl]morpholine-4-carboxylate
CID 168707579

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(aminomethyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-(aminomethyl)morpholine-4-carboxylate (CID 19081094) is tert-butyl 2-(aminomethyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-(aminomethyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-(aminomethyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(CN)C1.
What is the InChIKey of tert-butyl 2-(aminomethyl)morpholine-4-carboxylate?
The InChIKey is MTMBHUYOIZWQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12/h8H,4-7,11H2,1-3H3.
What are the key properties of tert-butyl 2-(aminomethyl)morpholine-4-carboxylate?
tert-butyl 2-(aminomethyl)morpholine-4-carboxylate has a molecular weight of 216.28 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(aminomethyl)morpholine-4-carboxylate is sourced from PubChem (CID 19081094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).