ethyl (2S)-1-[(2S)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate

C17H23N3O5 — CID 15679356

IUPACethyl (2S)-1-[(2S)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)c1cccn(C)c1=O
InChIInChI=1S/C17H23N3O5/c1-4-25-17(24)13-8-6-10-20(13)15(22)11(2)18-14(21)12-7-5-9-19(3)16(12)23/h5,7,9,11,13H,4,6,8,10H2,1-3H3,(H,18,21)/t11-,13-/m0/s1
InChIKeyUFCFGQJYEXUPAJ-AAEUAGOBSA-N
MW349.39 g/mol
LogP0.06
Rot. Bonds5

About ethyl (2S)-1-[(2S)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate

ethyl (2S)-1-[(2S)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate (PubChem CID 15679356) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is ethyl (2S)-1-[(2S)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-1-[(2S)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate
PubChem CID15679356
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Nameethyl (2S)-1-[(2S)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)c1cccn(C)c1=O
InChIInChI=1S/C17H23N3O5/c1-4-25-17(24)13-8-6-10-20(13)15(22)11(2)18-14(21)12-7-5-9-19(3)16(12)23/h5,7,9,11,13H,4,6,8,10H2,1-3H3,(H,18,21)/t11-,13-/m0/s1
InChIKeyUFCFGQJYEXUPAJ-AAEUAGOBSA-N
XLogP0.06
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-1-[(2S)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2S)-1-[(2S)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate (CID 15679356) is ethyl (2S)-1-[(2S)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2S)-1-[(2S)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2S)-1-[(2S)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate is CCOC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)c1cccn(C)c1=O.
What is the InChIKey of ethyl (2S)-1-[(2S)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate?
The InChIKey is UFCFGQJYEXUPAJ-AAEUAGOBSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-4-25-17(24)13-8-6-10-20(13)15(22)11(2)18-14(21)12-7-5-9-19(3)16(12)23/h5,7,9,11,13H,4,6,8,10H2,1-3H3,(H,18,21)/t11-,13-/m0/s1.
What are the key properties of ethyl (2S)-1-[(2S)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate?
ethyl (2S)-1-[(2S)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-1-[(2S)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 15679356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).