(2S)-1-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide

C19H27N3O3 — CID 75411400

IUPAC(2S)-1-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1C(=O)NC1CCOCC1
InChIInChI=1S/C19H27N3O3/c1-20-19(24)17(14-6-3-2-4-7-14)22-11-5-8-16(22)18(23)21-15-9-12-25-13-10-15/h2-4,6-7,15-17H,5,8-13H2,1H3,(H,20,24)(H,21,23)/t16-,17+/m0/s1
InChIKeyDORDPHZEQYKMKJ-DLBZAZTESA-N
MW345.44 g/mol
LogP1.23
Rot. Bonds5

About (2S)-1-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide

(2S)-1-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide (PubChem CID 75411400) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (2S)-1-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide
PubChem CID75411400
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(2S)-1-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1C(=O)NC1CCOCC1
InChIInChI=1S/C19H27N3O3/c1-20-19(24)17(14-6-3-2-4-7-14)22-11-5-8-16(22)18(23)21-15-9-12-25-13-10-15/h2-4,6-7,15-17H,5,8-13H2,1H3,(H,20,24)(H,21,23)/t16-,17+/m0/s1
InChIKeyDORDPHZEQYKMKJ-DLBZAZTESA-N
XLogP1.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide (CID 75411400) is (2S)-1-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide is CNC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1C(=O)NC1CCOCC1.
What is the InChIKey of (2S)-1-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is DORDPHZEQYKMKJ-DLBZAZTESA-N. The full InChI is InChI=1S/C19H27N3O3/c1-20-19(24)17(14-6-3-2-4-7-14)22-11-5-8-16(22)18(23)21-15-9-12-25-13-10-15/h2-4,6-7,15-17H,5,8-13H2,1H3,(H,20,24)(H,21,23)/t16-,17+/m0/s1.
What are the key properties of (2S)-1-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide?
(2S)-1-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 75411400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).