tert-butyl (2R)-2-[(4-cyano-2,5-difluorophenyl)carbamoyl]morpholine-4-carboxylate

C17H19F2N3O4 — CID 130221249

IUPACtert-butyl (2R)-2-[(4-cyano-2,5-difluorophenyl)carbamoyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2cc(F)c(C#N)cc2F)C1
InChIInChI=1S/C17H19F2N3O4/c1-17(2,3)26-16(24)22-4-5-25-14(9-22)15(23)21-13-7-11(18)10(8-20)6-12(13)19/h6-7,14H,4-5,9H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyFAAVRWPGVVVJGN-CQSZACIVSA-N
MW367.35 g/mol
LogP2.41
Rot. Bonds2

About tert-butyl (2R)-2-[(4-cyano-2,5-difluorophenyl)carbamoyl]morpholine-4-carboxylate

tert-butyl (2R)-2-[(4-cyano-2,5-difluorophenyl)carbamoyl]morpholine-4-carboxylate (PubChem CID 130221249) has the molecular formula C17H19F2N3O4 and a molecular weight of 367.35 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(4-cyano-2,5-difluorophenyl)carbamoyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(4-cyano-2,5-difluorophenyl)carbamoyl]morpholine-4-carboxylate
PubChem CID130221249
Molecular FormulaC17H19F2N3O4
Molecular Weight367.35 g/mol
Exact Mass367.13
IUPAC Nametert-butyl (2R)-2-[(4-cyano-2,5-difluorophenyl)carbamoyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2cc(F)c(C#N)cc2F)C1
InChIInChI=1S/C17H19F2N3O4/c1-17(2,3)26-16(24)22-4-5-25-14(9-22)15(23)21-13-7-11(18)10(8-20)6-12(13)19/h6-7,14H,4-5,9H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyFAAVRWPGVVVJGN-CQSZACIVSA-N
XLogP2.41
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[(3-fluoro-4-methylphenyl)carbamoyl]morpholine-4-carboxylate
CID 153400231
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tert-butyl 2-(cyclopropylcarbamoyl)morpholine-4-carboxylate
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tert-butyl (2R)-2-[(3-amino-5-fluoro-2-pyridinyl)carbamoyl]morpholine-4-carboxylate
CID 138710378
tert-butyl 2-(2,2-dicyano-1-methoxyethenyl)morpholine-4-carboxylate
CID 178068955
tert-butyl 2-(3-fluorobenzoyl)morpholine-4-carboxylate
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 N-[4-cyano-2-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]carbamate
CID 162439920
tert-butyl (3R,9aS)-3-(3-cyano-4-fluorophenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxylate
CID 71273614
tert-butyl (3S,9aS)-3-(3-cyano-4-fluorophenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxylate
CID 71273615
tert-butyl 4-(4-cyano-5-fluoro-2-nitroanilino)piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(4-cyano-2,5-difluorophenyl)carbamoyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(4-cyano-2,5-difluorophenyl)carbamoyl]morpholine-4-carboxylate (CID 130221249) is tert-butyl (2R)-2-[(4-cyano-2,5-difluorophenyl)carbamoyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(4-cyano-2,5-difluorophenyl)carbamoyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(4-cyano-2,5-difluorophenyl)carbamoyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2cc(F)c(C#N)cc2F)C1.
What is the InChIKey of tert-butyl (2R)-2-[(4-cyano-2,5-difluorophenyl)carbamoyl]morpholine-4-carboxylate?
The InChIKey is FAAVRWPGVVVJGN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19F2N3O4/c1-17(2,3)26-16(24)22-4-5-25-14(9-22)15(23)21-13-7-11(18)10(8-20)6-12(13)19/h6-7,14H,4-5,9H2,1-3H3,(H,21,23)/t14-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(4-cyano-2,5-difluorophenyl)carbamoyl]morpholine-4-carboxylate?
tert-butyl (2R)-2-[(4-cyano-2,5-difluorophenyl)carbamoyl]morpholine-4-carboxylate has a molecular weight of 367.35 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(4-cyano-2,5-difluorophenyl)carbamoyl]morpholine-4-carboxylate is sourced from PubChem (CID 130221249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).