N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]morpholine-4-carboxamide

C17H24FN3O4 — CID 75536752

IUPACN-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]morpholine-4-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NCc2ccc(F)cc2)[C@@H]1O)N1CCOCC1
InChIInChI=1S/C17H24FN3O4/c18-13-3-1-12(2-4-13)9-19-14-11-25-15(16(14)22)10-20-17(23)21-5-7-24-8-6-21/h1-4,14-16,19,22H,5-11H2,(H,20,23)/t14-,15-,16+/m1/s1
InChIKeyRDBGWJMZLAGRHA-OAGGEKHMSA-N
MW353.39 g/mol
LogP0.09
Rot. Bonds5

About N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]morpholine-4-carboxamide

N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]morpholine-4-carboxamide (PubChem CID 75536752) has the molecular formula C17H24FN3O4 and a molecular weight of 353.39 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]morpholine-4-carboxamide
PubChem CID75536752
Molecular FormulaC17H24FN3O4
Molecular Weight353.39 g/mol
Exact Mass353.18
IUPAC NameN-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]morpholine-4-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NCc2ccc(F)cc2)[C@@H]1O)N1CCOCC1
InChIInChI=1S/C17H24FN3O4/c18-13-3-1-12(2-4-13)9-19-14-11-25-15(16(14)22)10-20-17(23)21-5-7-24-8-6-21/h1-4,14-16,19,22H,5-11H2,(H,20,23)/t14-,15-,16+/m1/s1
InChIKeyRDBGWJMZLAGRHA-OAGGEKHMSA-N
XLogP0.09
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]morpholine-4-carboxamide (CID 75536752) is N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]morpholine-4-carboxamide is O=C(NC[C@H]1OC[C@@H](NCc2ccc(F)cc2)[C@@H]1O)N1CCOCC1.
What is the InChIKey of N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]morpholine-4-carboxamide?
The InChIKey is RDBGWJMZLAGRHA-OAGGEKHMSA-N. The full InChI is InChI=1S/C17H24FN3O4/c18-13-3-1-12(2-4-13)9-19-14-11-25-15(16(14)22)10-20-17(23)21-5-7-24-8-6-21/h1-4,14-16,19,22H,5-11H2,(H,20,23)/t14-,15-,16+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]morpholine-4-carboxamide?
N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]morpholine-4-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 75536752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).