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

C12H24N2O5 — CID 122173513

IUPACacetic acid;tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate
SMILESCC(=O)O.CC(C)(C)OC(=O)N1CCO[C@H](CN)C1
InChIInChI=1S/C10H20N2O3.C2H4O2/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12;1-2(3)4/h8H,4-7,11H2,1-3H3;1H3,(H,3,4)/t8-;/m1./s1
InChIKeyRMRCEKSGXTWEQD-DDWIOCJRSA-N
MW276.33 g/mol
LogP0.67
Rot. Bonds1

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

acetic acid;tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate (PubChem CID 122173513) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is acetic acid;tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nameacetic acid;tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate
PubChem CID122173513
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Nameacetic acid;tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate
SMILESCC(=O)O.CC(C)(C)OC(=O)N1CCO[C@H](CN)C1
InChIInChI=1S/C10H20N2O3.C2H4O2/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12;1-2(3)4/h8H,4-7,11H2,1-3H3;1H3,(H,3,4)/t8-;/m1./s1
InChIKeyRMRCEKSGXTWEQD-DDWIOCJRSA-N
XLogP0.67
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of acetic acid;tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate?
The IUPAC name of acetic acid;tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate (CID 122173513) is acetic acid;tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate.
What is the SMILES notation for acetic acid;tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate?
The canonical SMILES for acetic acid;tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate is CC(=O)O.CC(C)(C)OC(=O)N1CCO[C@H](CN)C1.
What is the InChIKey of acetic acid;tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate?
The InChIKey is RMRCEKSGXTWEQD-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H20N2O3.C2H4O2/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12;1-2(3)4/h8H,4-7,11H2,1-3H3;1H3,(H,3,4)/t8-;/m1./s1.
What are the key properties of acetic acid;tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate?
acetic acid;tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate has a molecular weight of 276.33 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate is sourced from PubChem (CID 122173513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).