tert-butyl 3-[amino-(1-methylpyrazol-3-yl)methyl]morpholine-4-carboxylate

C14H24N4O3 — CID 103554360

IUPACtert-butyl 3-[amino-(1-methylpyrazol-3-yl)methyl]morpholine-4-carboxylate
SMILESCn1ccc(C(N)C2COCCN2C(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H24N4O3/c1-14(2,3)21-13(19)18-7-8-20-9-11(18)12(15)10-5-6-17(4)16-10/h5-6,11-12H,7-9,15H2,1-4H3
InChIKeyHAFRNRPOROJFCK-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.06
Rot. Bonds2

About tert-butyl 3-[amino-(1-methylpyrazol-3-yl)methyl]morpholine-4-carboxylate

tert-butyl 3-[amino-(1-methylpyrazol-3-yl)methyl]morpholine-4-carboxylate (PubChem CID 103554360) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl 3-[amino-(1-methylpyrazol-3-yl)methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[amino-(1-methylpyrazol-3-yl)methyl]morpholine-4-carboxylate
PubChem CID103554360
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Nametert-butyl 3-[amino-(1-methylpyrazol-3-yl)methyl]morpholine-4-carboxylate
SMILESCn1ccc(C(N)C2COCCN2C(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H24N4O3/c1-14(2,3)21-13(19)18-7-8-20-9-11(18)12(15)10-5-6-17(4)16-10/h5-6,11-12H,7-9,15H2,1-4H3
InChIKeyHAFRNRPOROJFCK-UHFFFAOYSA-N
XLogP1.06
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[amino-(1-methylpyrazol-3-yl)methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[amino-(1-methylpyrazol-3-yl)methyl]morpholine-4-carboxylate (CID 103554360) is tert-butyl 3-[amino-(1-methylpyrazol-3-yl)methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[amino-(1-methylpyrazol-3-yl)methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[amino-(1-methylpyrazol-3-yl)methyl]morpholine-4-carboxylate is Cn1ccc(C(N)C2COCCN2C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl 3-[amino-(1-methylpyrazol-3-yl)methyl]morpholine-4-carboxylate?
The InChIKey is HAFRNRPOROJFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-14(2,3)21-13(19)18-7-8-20-9-11(18)12(15)10-5-6-17(4)16-10/h5-6,11-12H,7-9,15H2,1-4H3.
What are the key properties of tert-butyl 3-[amino-(1-methylpyrazol-3-yl)methyl]morpholine-4-carboxylate?
tert-butyl 3-[amino-(1-methylpyrazol-3-yl)methyl]morpholine-4-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[amino-(1-methylpyrazol-3-yl)methyl]morpholine-4-carboxylate is sourced from PubChem (CID 103554360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).