benzyl (5S)-2-oxo-5-(pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate

C18H17N3O4 — CID 659385

IUPACbenzyl (5S)-2-oxo-5-(pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate
SMILESO=C(Nc1ccccn1)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C18H17N3O4/c22-16-10-9-14(17(23)20-15-8-4-5-11-19-15)21(16)18(24)25-12-13-6-2-1-3-7-13/h1-8,11,14H,9-10,12H2,(H,19,20,23)/t14-/m0/s1
InChIKeyKZZSQQXNYUTCQK-AWEZNQCLSA-N
MW339.35 g/mol
LogP2.35
Rot. Bonds4

About benzyl (5S)-2-oxo-5-(pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate

benzyl (5S)-2-oxo-5-(pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate (PubChem CID 659385) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is benzyl (5S)-2-oxo-5-(pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (5S)-2-oxo-5-(pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate
PubChem CID659385
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Namebenzyl (5S)-2-oxo-5-(pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate
SMILESO=C(Nc1ccccn1)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C18H17N3O4/c22-16-10-9-14(17(23)20-15-8-4-5-11-19-15)21(16)18(24)25-12-13-6-2-1-3-7-13/h1-8,11,14H,9-10,12H2,(H,19,20,23)/t14-/m0/s1
InChIKeyKZZSQQXNYUTCQK-AWEZNQCLSA-N
XLogP2.35
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl (5S)-2-oxo-5-(pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (5S)-2-oxo-5-(pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate (CID 659385) is benzyl (5S)-2-oxo-5-(pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (5S)-2-oxo-5-(pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (5S)-2-oxo-5-(pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate is O=C(Nc1ccccn1)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (5S)-2-oxo-5-(pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate?
The InChIKey is KZZSQQXNYUTCQK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17N3O4/c22-16-10-9-14(17(23)20-15-8-4-5-11-19-15)21(16)18(24)25-12-13-6-2-1-3-7-13/h1-8,11,14H,9-10,12H2,(H,19,20,23)/t14-/m0/s1.
What are the key properties of benzyl (5S)-2-oxo-5-(pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate?
benzyl (5S)-2-oxo-5-(pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (5S)-2-oxo-5-(pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 659385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).