benzyl (2R)-2-[(5-fluoro-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate

C18H18FN3O3 — CID 58833610

IUPACbenzyl (2R)-2-[(5-fluoro-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESO=C(Nc1ccc(F)cn1)[C@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C18H18FN3O3/c19-14-8-9-16(20-11-14)21-17(23)15-7-4-10-22(15)18(24)25-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,20,21,23)/t15-/m1/s1
InChIKeyZGZNYQHJZXXDEA-OAHLLOKOSA-N
MW343.36 g/mol
LogP2.96
Rot. Bonds4

About benzyl (2R)-2-[(5-fluoro-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate

benzyl (2R)-2-[(5-fluoro-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 58833610) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is benzyl (2R)-2-[(5-fluoro-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-[(5-fluoro-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID58833610
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Namebenzyl (2R)-2-[(5-fluoro-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESO=C(Nc1ccc(F)cn1)[C@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C18H18FN3O3/c19-14-8-9-16(20-11-14)21-17(23)15-7-4-10-22(15)18(24)25-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,20,21,23)/t15-/m1/s1
InChIKeyZGZNYQHJZXXDEA-OAHLLOKOSA-N
XLogP2.96
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-[(5-fluoro-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2R)-2-[(5-fluoro-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate (CID 58833610) is benzyl (2R)-2-[(5-fluoro-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2-[(5-fluoro-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2R)-2-[(5-fluoro-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate is O=C(Nc1ccc(F)cn1)[C@H]1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-2-[(5-fluoro-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is ZGZNYQHJZXXDEA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18FN3O3/c19-14-8-9-16(20-11-14)21-17(23)15-7-4-10-22(15)18(24)25-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,20,21,23)/t15-/m1/s1.
What are the key properties of benzyl (2R)-2-[(5-fluoro-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate?
benzyl (2R)-2-[(5-fluoro-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 343.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-[(5-fluoro-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 58833610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).