(2S)-N-[(2R)-butan-2-yl]-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide

C17H20N2O4 — CID 7083516

IUPAC(2S)-N-[(2R)-butan-2-yl]-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide
SMILESCC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2ccccc21
InChIInChI=1S/C17H20N2O4/c1-3-10(2)18-15(21)13-8-9-14(20)19(13)16-11-6-4-5-7-12(11)17(22)23-16/h4-7,10,13,16H,3,8-9H2,1-2H3,(H,18,21)/t10-,13+,16-/m1/s1
InChIKeyARGYSBFCUPNCDR-AKWBHNSASA-N
MW316.36 g/mol
LogP1.76
Rot. Bonds4

About (2S)-N-[(2R)-butan-2-yl]-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide

(2S)-N-[(2R)-butan-2-yl]-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide (PubChem CID 7083516) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is (2S)-N-[(2R)-butan-2-yl]-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-butan-2-yl]-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide
PubChem CID7083516
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name(2S)-N-[(2R)-butan-2-yl]-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide
SMILESCC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2ccccc21
InChIInChI=1S/C17H20N2O4/c1-3-10(2)18-15(21)13-8-9-14(20)19(13)16-11-6-4-5-7-12(11)17(22)23-16/h4-7,10,13,16H,3,8-9H2,1-2H3,(H,18,21)/t10-,13+,16-/m1/s1
InChIKeyARGYSBFCUPNCDR-AKWBHNSASA-N
XLogP1.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-butan-2-yl]-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2R)-butan-2-yl]-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide (CID 7083516) is (2S)-N-[(2R)-butan-2-yl]-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2R)-butan-2-yl]-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2R)-butan-2-yl]-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide is CC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2ccccc21.
What is the InChIKey of (2S)-N-[(2R)-butan-2-yl]-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide?
The InChIKey is ARGYSBFCUPNCDR-AKWBHNSASA-N. The full InChI is InChI=1S/C17H20N2O4/c1-3-10(2)18-15(21)13-8-9-14(20)19(13)16-11-6-4-5-7-12(11)17(22)23-16/h4-7,10,13,16H,3,8-9H2,1-2H3,(H,18,21)/t10-,13+,16-/m1/s1.
What are the key properties of (2S)-N-[(2R)-butan-2-yl]-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide?
(2S)-N-[(2R)-butan-2-yl]-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-butan-2-yl]-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 7083516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).