5-(4-tert-butylmorpholin-2-yl)pyridin-2-amine;2-hydroxypropane-1,2,3-tricarboxylate

C19H26N3O8-3 — CID 19892024

IUPAC5-(4-tert-butylmorpholin-2-yl)pyridin-2-amine;2-hydroxypropane-1,2,3-tricarboxylate
SMILESCC(C)(C)N1CCOC(c2ccc(N)nc2)C1.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C13H21N3O.C6H8O7/c1-13(2,3)16-6-7-17-11(9-16)10-4-5-12(14)15-8-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-5,8,11H,6-7,9H2,1-3H3,(H2,14,15);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
InChIKeyYRIJBESJNBCUSS-UHFFFAOYSA-K
MW424.43 g/mol
LogP-3.42
Rot. Bonds6

About 5-(4-tert-butylmorpholin-2-yl)pyridin-2-amine;2-hydroxypropane-1,2,3-tricarboxylate

5-(4-tert-butylmorpholin-2-yl)pyridin-2-amine;2-hydroxypropane-1,2,3-tricarboxylate (PubChem CID 19892024) has the molecular formula C19H26N3O8-3 and a molecular weight of 424.43 g/mol. Its IUPAC name is 5-(4-tert-butylmorpholin-2-yl)pyridin-2-amine;2-hydroxypropane-1,2,3-tricarboxylate.

Molecular Properties

Compound Name5-(4-tert-butylmorpholin-2-yl)pyridin-2-amine;2-hydroxypropane-1,2,3-tricarboxylate
PubChem CID19892024
Molecular FormulaC19H26N3O8-3
Molecular Weight424.43 g/mol
Exact Mass424.17
IUPAC Name5-(4-tert-butylmorpholin-2-yl)pyridin-2-amine;2-hydroxypropane-1,2,3-tricarboxylate
SMILESCC(C)(C)N1CCOC(c2ccc(N)nc2)C1.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C13H21N3O.C6H8O7/c1-13(2,3)16-6-7-17-11(9-16)10-4-5-12(14)15-8-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-5,8,11H,6-7,9H2,1-3H3,(H2,14,15);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
InChIKeyYRIJBESJNBCUSS-UHFFFAOYSA-K
XLogP-3.42
TPSA192.00 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.43
LogP ≤ 5-3.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylmorpholin-2-yl)pyridin-2-amine;2-hydroxypropane-1,2,3-tricarboxylate?
The IUPAC name of 5-(4-tert-butylmorpholin-2-yl)pyridin-2-amine;2-hydroxypropane-1,2,3-tricarboxylate (CID 19892024) is 5-(4-tert-butylmorpholin-2-yl)pyridin-2-amine;2-hydroxypropane-1,2,3-tricarboxylate.
What is the SMILES notation for 5-(4-tert-butylmorpholin-2-yl)pyridin-2-amine;2-hydroxypropane-1,2,3-tricarboxylate?
The canonical SMILES for 5-(4-tert-butylmorpholin-2-yl)pyridin-2-amine;2-hydroxypropane-1,2,3-tricarboxylate is CC(C)(C)N1CCOC(c2ccc(N)nc2)C1.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].
What is the InChIKey of 5-(4-tert-butylmorpholin-2-yl)pyridin-2-amine;2-hydroxypropane-1,2,3-tricarboxylate?
The InChIKey is YRIJBESJNBCUSS-UHFFFAOYSA-K. The full InChI is InChI=1S/C13H21N3O.C6H8O7/c1-13(2,3)16-6-7-17-11(9-16)10-4-5-12(14)15-8-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-5,8,11H,6-7,9H2,1-3H3,(H2,14,15);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3.
What are the key properties of 5-(4-tert-butylmorpholin-2-yl)pyridin-2-amine;2-hydroxypropane-1,2,3-tricarboxylate?
5-(4-tert-butylmorpholin-2-yl)pyridin-2-amine;2-hydroxypropane-1,2,3-tricarboxylate has a molecular weight of 424.43 g/mol, XLogP of -3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylmorpholin-2-yl)pyridin-2-amine;2-hydroxypropane-1,2,3-tricarboxylate is sourced from PubChem (CID 19892024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).