bis(tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate);oxalic acid

C22H42N4O10 — CID 129319481

IUPACbis(tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate);oxalic acid
SMILESCC(C)(C)OC(=O)N1CCO[C@H](CN)C1.CC(C)(C)OC(=O)N1CCO[C@H](CN)C1.O=C(O)C(=O)O
InChIInChI=1S/2C10H20N2O3.C2H2O4/c2*1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12;3-1(4)2(5)6/h2*8H,4-7,11H2,1-3H3;(H,3,4)(H,5,6)/t2*8-;/m11./s1
InChIKeyLYRCBJSQOOYSOJ-GGTCEIRZSA-N
MW522.60 g/mol
LogP0.32
Rot. Bonds2

About bis(tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate);oxalic acid

bis(tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate);oxalic acid (PubChem CID 129319481) has the molecular formula C22H42N4O10 and a molecular weight of 522.60 g/mol. Its IUPAC name is bis(tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate);oxalic acid.

Molecular Properties

Compound Namebis(tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate);oxalic acid
PubChem CID129319481
Molecular FormulaC22H42N4O10
Molecular Weight522.60 g/mol
Exact Mass522.29
IUPAC Namebis(tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate);oxalic acid
SMILESCC(C)(C)OC(=O)N1CCO[C@H](CN)C1.CC(C)(C)OC(=O)N1CCO[C@H](CN)C1.O=C(O)C(=O)O
InChIInChI=1S/2C10H20N2O3.C2H2O4/c2*1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12;3-1(4)2(5)6/h2*8H,4-7,11H2,1-3H3;(H,3,4)(H,5,6)/t2*8-;/m11./s1
InChIKeyLYRCBJSQOOYSOJ-GGTCEIRZSA-N
XLogP0.32
TPSA204.18 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.60
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate);oxalic acid?
The IUPAC name of bis(tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate);oxalic acid (CID 129319481) is bis(tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate);oxalic acid.
What is the SMILES notation for bis(tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate);oxalic acid?
The canonical SMILES for bis(tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate);oxalic acid is CC(C)(C)OC(=O)N1CCO[C@H](CN)C1.CC(C)(C)OC(=O)N1CCO[C@H](CN)C1.O=C(O)C(=O)O.
What is the InChIKey of bis(tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate);oxalic acid?
The InChIKey is LYRCBJSQOOYSOJ-GGTCEIRZSA-N. The full InChI is InChI=1S/2C10H20N2O3.C2H2O4/c2*1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12;3-1(4)2(5)6/h2*8H,4-7,11H2,1-3H3;(H,3,4)(H,5,6)/t2*8-;/m11./s1.
What are the key properties of bis(tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate);oxalic acid?
bis(tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate);oxalic acid has a molecular weight of 522.60 g/mol, XLogP of 0.32, 2 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate);oxalic acid is sourced from PubChem (CID 129319481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).