(2R)-N-[4-[2-[(2R,3S,4R,5S)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[hydroxy(dimethyl)silyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidine-2-carboxamide

C31H45N3O5Si — CID 23901880

About (2R)-N-[4-[2-[(2R,3S,4R,5S)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[hydroxy(dimethyl)silyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidine-2-carboxamide

(2R)-N-[4-[2-[(2R,3S,4R,5S)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[hydroxy(dimethyl)silyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 23901880) has the molecular formula C31H45N3O5Si and a molecular weight of 567.80 g/mol. Its IUPAC name is (2R)-N-[4-[2-[(2R,3S,4R,5S)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[hydroxy(dimethyl)silyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[4-[2-[(2R,3S,4R,5S)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[hydroxy(dimethyl)silyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidine-2-carboxamide
• PubChem CID: 23901880
• Molecular Formula: C31H45N3O5Si
• Molecular Weight: 567.80 g/mol
• Exact Mass: 567.31
• IUPAC Name: (2R)-N-[4-[2-[(2R,3S,4R,5S)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[hydroxy(dimethyl)silyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidine-2-carboxamide
• SMILES: C[C@@H]1[C@@H]([Si](C)(C)O)[C@H](CC(=O)N(CCO)Cc2ccccc2)O[C@@H]1CCc1ccc(NC(=O)[C@H]2CCCN2)cc1
• InChI: InChI=1S/C31H45N3O5Si/c1-22-27(16-13-23-11-14-25(15-12-23)33-31(37)26-10-7-17-32-26)39-28(30(22)40(2,3)38)20-29(36)34(18-19-35)21-24-8-5-4-6-9-24/h4-6,8-9,11-12,14-15,22,26-28,30,32,35,38H,7,10,13,16-21H2,1-3H3,(H,33,37)/t22-,26+,27+,28-,30+/m0/s1
• InChIKey: FIXWNEGQZAZVKH-DBXUVXQGSA-N
• XLogP: 3.69
• TPSA: 111.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.80
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[2-[(2R,3S,4R,5S)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[hydroxy(dimethyl)silyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidine-2-carboxamide?

The IUPAC name of (2R)-N-[4-[2-[(2R,3S,4R,5S)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[hydroxy(dimethyl)silyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidine-2-carboxamide (CID 23901880) is (2R)-N-[4-[2-[(2R,3S,4R,5S)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[hydroxy(dimethyl)silyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2R)-N-[4-[2-[(2R,3S,4R,5S)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[hydroxy(dimethyl)silyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2R)-N-[4-[2-[(2R,3S,4R,5S)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[hydroxy(dimethyl)silyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidine-2-carboxamide is C[C@@H]1[C@@H]([Si](C)(C)O)[C@H](CC(=O)N(CCO)Cc2ccccc2)O[C@@H]1CCc1ccc(NC(=O)[C@H]2CCCN2)cc1.

What is the InChIKey of (2R)-N-[4-[2-[(2R,3S,4R,5S)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[hydroxy(dimethyl)silyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidine-2-carboxamide?

The InChIKey is FIXWNEGQZAZVKH-DBXUVXQGSA-N. The full InChI is InChI=1S/C31H45N3O5Si/c1-22-27(16-13-23-11-14-25(15-12-23)33-31(37)26-10-7-17-32-26)39-28(30(22)40(2,3)38)20-29(36)34(18-19-35)21-24-8-5-4-6-9-24/h4-6,8-9,11-12,14-15,22,26-28,30,32,35,38H,7,10,13,16-21H2,1-3H3,(H,33,37)/t22-,26+,27+,28-,30+/m0/s1.

What are the key properties of (2R)-N-[4-[2-[(2R,3S,4R,5S)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[hydroxy(dimethyl)silyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidine-2-carboxamide?

(2R)-N-[4-[2-[(2R,3S,4R,5S)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[hydroxy(dimethyl)silyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 567.80 g/mol, XLogP of 3.69, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[4-[2-[(2R,3S,4R,5S)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[hydroxy(dimethyl)silyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 23901880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).