(2S,4S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide

C19H21FN2O3 — CID 166630369

IUPAC(2S,4S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C19H21FN2O3/c20-15-3-1-2-14(8-15)12-25-17-6-4-13(5-7-17)10-22-11-16(23)9-18(22)19(21)24/h1-8,16,18,23H,9-12H2,(H2,21,24)/t16-,18-/m0/s1
InChIKeyOUIJOPFKWJLMRD-WMZOPIPTSA-N
MW344.39 g/mol
LogP1.83
Rot. Bonds6

About (2S,4S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide

(2S,4S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 166630369) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is (2S,4S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID166630369
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name(2S,4S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C19H21FN2O3/c20-15-3-1-2-14(8-15)12-25-17-6-4-13(5-7-17)10-22-11-16(23)9-18(22)19(21)24/h1-8,16,18,23H,9-12H2,(H2,21,24)/t16-,18-/m0/s1
InChIKeyOUIJOPFKWJLMRD-WMZOPIPTSA-N
XLogP1.83
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide (CID 166630369) is (2S,4S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide is NC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of (2S,4S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is OUIJOPFKWJLMRD-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H21FN2O3/c20-15-3-1-2-14(8-15)12-25-17-6-4-13(5-7-17)10-22-11-16(23)9-18(22)19(21)24/h1-8,16,18,23H,9-12H2,(H2,21,24)/t16-,18-/m0/s1.
What are the key properties of (2S,4S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
(2S,4S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 166630369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).