ethyl (2S)-1-[(2S)-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate

C16H21N3O5 — CID 15679354

About ethyl (2S)-1-[(2S)-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate

ethyl (2S)-1-[(2S)-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate (PubChem CID 15679354) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is ethyl (2S)-1-[(2S)-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate.

Molecular Properties

• Compound Name: ethyl (2S)-1-[(2S)-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate
• PubChem CID: 15679354
• Molecular Formula: C16H21N3O5
• Molecular Weight: 335.36 g/mol
• Exact Mass: 335.15
• IUPAC Name: ethyl (2S)-1-[(2S)-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate
• SMILES: CCOC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)c1cc[nH]c(=O)c1
• InChI: InChI=1S/C16H21N3O5/c1-3-24-16(23)12-5-4-8-19(12)15(22)10(2)18-14(21)11-6-7-17-13(20)9-11/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,17,20)(H,18,21)/t10-,12-/m0/s1
• InChIKey: TULUCNFWRKMWIV-JQWIXIFHSA-N
• XLogP: 0.05
• TPSA: 108.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.36
LogP ≤ 5	0.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-1-[(2S)-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate?

The IUPAC name of ethyl (2S)-1-[(2S)-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate (CID 15679354) is ethyl (2S)-1-[(2S)-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate.

What is the SMILES notation for ethyl (2S)-1-[(2S)-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate?

The canonical SMILES for ethyl (2S)-1-[(2S)-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate is CCOC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)c1cc[nH]c(=O)c1.

What is the InChIKey of ethyl (2S)-1-[(2S)-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate?

The InChIKey is TULUCNFWRKMWIV-JQWIXIFHSA-N. The full InChI is InChI=1S/C16H21N3O5/c1-3-24-16(23)12-5-4-8-19(12)15(22)10(2)18-14(21)11-6-7-17-13(20)9-11/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,17,20)(H,18,21)/t10-,12-/m0/s1.

What are the key properties of ethyl (2S)-1-[(2S)-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate?

ethyl (2S)-1-[(2S)-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2S)-1-[(2S)-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 15679354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).