(2S)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide

C18H20N2O3 — CID 7101879

IUPAC(2S)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CCC(=O)N1Cc1ccco1)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-13(14-6-3-2-4-7-14)19-18(22)16-9-10-17(21)20(16)12-15-8-5-11-23-15/h2-8,11,13,16H,9-10,12H2,1H3,(H,19,22)/t13-,16-/m0/s1
InChIKeyXOXCGJXTWAPKTB-BBRMVZONSA-N
MW312.37 g/mol
LogP2.65
Rot. Bonds5

About (2S)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide

(2S)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide (PubChem CID 7101879) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2S)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
PubChem CID7101879
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(2S)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CCC(=O)N1Cc1ccco1)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-13(14-6-3-2-4-7-14)19-18(22)16-9-10-17(21)20(16)12-15-8-5-11-23-15/h2-8,11,13,16H,9-10,12H2,1H3,(H,19,22)/t13-,16-/m0/s1
InChIKeyXOXCGJXTWAPKTB-BBRMVZONSA-N
XLogP2.65
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide (CID 7101879) is (2S)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide is C[C@H](NC(=O)[C@@H]1CCC(=O)N1Cc1ccco1)c1ccccc1.
What is the InChIKey of (2S)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide?
The InChIKey is XOXCGJXTWAPKTB-BBRMVZONSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13(14-6-3-2-4-7-14)19-18(22)16-9-10-17(21)20(16)12-15-8-5-11-23-15/h2-8,11,13,16H,9-10,12H2,1H3,(H,19,22)/t13-,16-/m0/s1.
What are the key properties of (2S)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide?
(2S)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 7101879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).