tert-butyl (2R)-2-[(3-amino-5-fluoro-2-pyridinyl)carbamoyl]morpholine-4-carboxylate

C15H21FN4O4 — CID 138710378

IUPACtert-butyl (2R)-2-[(3-amino-5-fluoro-2-pyridinyl)carbamoyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2ncc(F)cc2N)C1
InChIInChI=1S/C15H21FN4O4/c1-15(2,3)24-14(22)20-4-5-23-11(8-20)13(21)19-12-10(17)6-9(16)7-18-12/h6-7,11H,4-5,8,17H2,1-3H3,(H,18,19,21)/t11-/m1/s1
InChIKeyRIQLEMSQCJKXDR-LLVKDONJSA-N
MW340.36 g/mol
LogP1.38
Rot. Bonds2

About tert-butyl (2R)-2-[(3-amino-5-fluoro-2-pyridinyl)carbamoyl]morpholine-4-carboxylate

tert-butyl (2R)-2-[(3-amino-5-fluoro-2-pyridinyl)carbamoyl]morpholine-4-carboxylate (PubChem CID 138710378) has the molecular formula C15H21FN4O4 and a molecular weight of 340.36 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(3-amino-5-fluoro-2-pyridinyl)carbamoyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(3-amino-5-fluoro-2-pyridinyl)carbamoyl]morpholine-4-carboxylate
PubChem CID138710378
Molecular FormulaC15H21FN4O4
Molecular Weight340.36 g/mol
Exact Mass340.15
IUPAC Nametert-butyl (2R)-2-[(3-amino-5-fluoro-2-pyridinyl)carbamoyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2ncc(F)cc2N)C1
InChIInChI=1S/C15H21FN4O4/c1-15(2,3)24-14(22)20-4-5-23-11(8-20)13(21)19-12-10(17)6-9(16)7-18-12/h6-7,11H,4-5,8,17H2,1-3H3,(H,18,19,21)/t11-/m1/s1
InChIKeyRIQLEMSQCJKXDR-LLVKDONJSA-N
XLogP1.38
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 2-[(3-fluoro-4-methylphenyl)carbamoyl]morpholine-4-carboxylate
CID 153400231
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CID 59494690
tert-butyl (2R)-2-[(4-cyano-2,5-difluorophenyl)carbamoyl]morpholine-4-carboxylate
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CID 68598494
(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 35549476
lithium (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 134859282
tert-butyl (2R)-2-(2-chloro-3-fluoropyridine-4-carbonyl)morpholine-4-carboxylate
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tert-butyl 2-(4-aminopyrrolo[2,1-f][1,2,4]triazine-7-carbonyl)morpholine-4-carboxylate
CID 59232095
tert-butyl 2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbonyl]morpholine-4-carboxylate
CID 171493468
tert-butyl (2S)-2-[2-(4-amino-6-methylpyrimidin-5-yl)acetyl]morpholine-4-carboxylate
CID 163864079
tert-butyl (2S)-2-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-2-ylcarbamoyl]morpholine-4-carboxylate
CID 121346719

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(3-amino-5-fluoro-2-pyridinyl)carbamoyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(3-amino-5-fluoro-2-pyridinyl)carbamoyl]morpholine-4-carboxylate (CID 138710378) is tert-butyl (2R)-2-[(3-amino-5-fluoro-2-pyridinyl)carbamoyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(3-amino-5-fluoro-2-pyridinyl)carbamoyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(3-amino-5-fluoro-2-pyridinyl)carbamoyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2ncc(F)cc2N)C1.
What is the InChIKey of tert-butyl (2R)-2-[(3-amino-5-fluoro-2-pyridinyl)carbamoyl]morpholine-4-carboxylate?
The InChIKey is RIQLEMSQCJKXDR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21FN4O4/c1-15(2,3)24-14(22)20-4-5-23-11(8-20)13(21)19-12-10(17)6-9(16)7-18-12/h6-7,11H,4-5,8,17H2,1-3H3,(H,18,19,21)/t11-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(3-amino-5-fluoro-2-pyridinyl)carbamoyl]morpholine-4-carboxylate?
tert-butyl (2R)-2-[(3-amino-5-fluoro-2-pyridinyl)carbamoyl]morpholine-4-carboxylate has a molecular weight of 340.36 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(3-amino-5-fluoro-2-pyridinyl)carbamoyl]morpholine-4-carboxylate is sourced from PubChem (CID 138710378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).