tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholine-4-carboxylate;2-hydroxyacetic acid;2-hydroxy-N-[[(2S)-morpholin-2-yl]methyl]acetamide

C31H60N6O14 — CID 160531729

IUPACtert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholine-4-carboxylate;2-hydroxyacetic acid;2-hydroxy-N-[[(2S)-morpholin-2-yl]methyl]acetamide
SMILESCC(C)(C)OC(=O)N1CCO[C@H](CN)C1.CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)CO)C1.O=C(CO)NC[C@@H]1CNCCO1.O=C(O)CO
InChIInChI=1S/C12H22N2O5.C10H20N2O3.C7H14N2O3.C2H4O3/c1-12(2,3)19-11(17)14-4-5-18-9(7-14)6-13-10(16)8-15;1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12;10-5-7(11)9-4-6-3-8-1-2-12-6;3-1-2(4)5/h9,15H,4-8H2,1-3H3,(H,13,16);8H,4-7,11H2,1-3H3;6,8,10H,1-5H2,(H,9,11);3H,1H2,(H,4,5)/t9-;8-;6-;/m110./s1
InChIKeyQVQCFMJHQKWIBD-UZUINRBPSA-N
MW740.85 g/mol
LogP-2.54
Rot. Bonds8

About tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholine-4-carboxylate;2-hydroxyacetic acid;2-hydroxy-N-[[(2S)-morpholin-2-yl]methyl]acetamide

tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholine-4-carboxylate;2-hydroxyacetic acid;2-hydroxy-N-[[(2S)-morpholin-2-yl]methyl]acetamide (PubChem CID 160531729) has the molecular formula C31H60N6O14 and a molecular weight of 740.85 g/mol. Its IUPAC name is tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholine-4-carboxylate;2-hydroxyacetic acid;2-hydroxy-N-[[(2S)-morpholin-2-yl]methyl]acetamide.

Molecular Properties

Compound Nametert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholine-4-carboxylate;2-hydroxyacetic acid;2-hydroxy-N-[[(2S)-morpholin-2-yl]methyl]acetamide
PubChem CID160531729
Molecular FormulaC31H60N6O14
Molecular Weight740.85 g/mol
Exact Mass740.42
IUPAC Nametert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholine-4-carboxylate;2-hydroxyacetic acid;2-hydroxy-N-[[(2S)-morpholin-2-yl]methyl]acetamide
SMILESCC(C)(C)OC(=O)N1CCO[C@H](CN)C1.CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)CO)C1.O=C(CO)NC[C@@H]1CNCCO1.O=C(O)CO
InChIInChI=1S/C12H22N2O5.C10H20N2O3.C7H14N2O3.C2H4O3/c1-12(2,3)19-11(17)14-4-5-18-9(7-14)6-13-10(16)8-15;1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12;10-5-7(11)9-4-6-3-8-1-2-12-6;3-1-2(4)5/h9,15H,4-8H2,1-3H3,(H,13,16);8H,4-7,11H2,1-3H3;6,8,10H,1-5H2,(H,9,11);3H,1H2,(H,4,5)/t9-;8-;6-;/m110./s1
InChIKeyQVQCFMJHQKWIBD-UZUINRBPSA-N
XLogP-2.54
TPSA281.01 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500740.85
LogP ≤ 5-2.54
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

Analyze tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholine-4-carboxylate;2-hydroxyacetic acid;2-hydroxy-N-[[(2S)-morpholin-2-yl]methyl]acetamide with MolForge

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Related Compounds

acetyl acetate;tert-butyl (2R)-2-(acetamidomethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate;N-[[(2S)-morpholin-2-yl]methyl]acetamide
CID 158712649
Tert-butyl 4-[2-(2-methoxyethoxy)acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-(2-methoxyethoxy)acetic acid
CID 159161449
1-(4-aminopiperidin-1-yl)-2-hydroxyethanone;tert-butyl N-[1-(2-hydroxyacetyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;ethyl 2-hydroxyacetate
CID 159661310
Tert-butyl 4-(2-methoxyacetyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-methoxyacetic acid;2-methoxy-1-piperazin-1-ylethanone
CID 160089670
tert-butyl (2S,5S)-2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazine-1-carboxylate;2-[(2S,5S)-2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazine-1-carbonyl]oxy-2-oxoacetic acid
CID 169713116
(R)-4-Boc-2-aminomethylmorpholine hemioxalate
CID 129319481

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholine-4-carboxylate;2-hydroxyacetic acid;2-hydroxy-N-[[(2S)-morpholin-2-yl]methyl]acetamide?
The IUPAC name of tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholine-4-carboxylate;2-hydroxyacetic acid;2-hydroxy-N-[[(2S)-morpholin-2-yl]methyl]acetamide (CID 160531729) is tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholine-4-carboxylate;2-hydroxyacetic acid;2-hydroxy-N-[[(2S)-morpholin-2-yl]methyl]acetamide.
What is the SMILES notation for tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholine-4-carboxylate;2-hydroxyacetic acid;2-hydroxy-N-[[(2S)-morpholin-2-yl]methyl]acetamide?
The canonical SMILES for tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholine-4-carboxylate;2-hydroxyacetic acid;2-hydroxy-N-[[(2S)-morpholin-2-yl]methyl]acetamide is CC(C)(C)OC(=O)N1CCO[C@H](CN)C1.CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)CO)C1.O=C(CO)NC[C@@H]1CNCCO1.O=C(O)CO.
What is the InChIKey of tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholine-4-carboxylate;2-hydroxyacetic acid;2-hydroxy-N-[[(2S)-morpholin-2-yl]methyl]acetamide?
The InChIKey is QVQCFMJHQKWIBD-UZUINRBPSA-N. The full InChI is InChI=1S/C12H22N2O5.C10H20N2O3.C7H14N2O3.C2H4O3/c1-12(2,3)19-11(17)14-4-5-18-9(7-14)6-13-10(16)8-15;1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12;10-5-7(11)9-4-6-3-8-1-2-12-6;3-1-2(4)5/h9,15H,4-8H2,1-3H3,(H,13,16);8H,4-7,11H2,1-3H3;6,8,10H,1-5H2,(H,9,11);3H,1H2,(H,4,5)/t9-;8-;6-;/m110./s1.
What are the key properties of tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholine-4-carboxylate;2-hydroxyacetic acid;2-hydroxy-N-[[(2S)-morpholin-2-yl]methyl]acetamide?
tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholine-4-carboxylate;2-hydroxyacetic acid;2-hydroxy-N-[[(2S)-morpholin-2-yl]methyl]acetamide has a molecular weight of 740.85 g/mol, XLogP of -2.54, 8 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholine-4-carboxylate;2-hydroxyacetic acid;2-hydroxy-N-[[(2S)-morpholin-2-yl]methyl]acetamide is sourced from PubChem (CID 160531729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).