2-amino-3-hydroxy-2-methyl-N-[(2R)-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide

C29H38N4O5 — CID 71060255

About 2-amino-3-hydroxy-2-methyl-N-[(2R)-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide

2-amino-3-hydroxy-2-methyl-N-[(2R)-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide (PubChem CID 71060255) has the molecular formula C29H38N4O5 and a molecular weight of 522.65 g/mol. Its IUPAC name is 2-amino-3-hydroxy-2-methyl-N-[(2R)-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide.

Molecular Properties

• Compound Name: 2-amino-3-hydroxy-2-methyl-N-[(2R)-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
• PubChem CID: 71060255
• Molecular Formula: C29H38N4O5
• Molecular Weight: 522.65 g/mol
• Exact Mass: 522.28
• IUPAC Name: 2-amino-3-hydroxy-2-methyl-N-[(2R)-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
• SMILES: CN1C[C@H](c2ccccc2)[C@]2(CCCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(N)CO)C2)C1=O
• InChI: InChI=1S/C29H38N4O5/c1-28(30,20-34)26(36)31-24(18-38-17-21-10-5-3-6-11-21)25(35)33-15-9-14-29(19-33)23(16-32(2)27(29)37)22-12-7-4-8-13-22/h3-8,10-13,23-24,34H,9,14-20,30H2,1-2H3,(H,31,36)/t23-,24-,28?,29-/m1/s1
• InChIKey: VYXSOIPVJGZZFP-KWQMMHLASA-N
• XLogP: 1.26
• TPSA: 125.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.65
LogP ≤ 5	1.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-2-methyl-N-[(2R)-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide?

The IUPAC name of 2-amino-3-hydroxy-2-methyl-N-[(2R)-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide (CID 71060255) is 2-amino-3-hydroxy-2-methyl-N-[(2R)-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide.

What is the SMILES notation for 2-amino-3-hydroxy-2-methyl-N-[(2R)-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide?

The canonical SMILES for 2-amino-3-hydroxy-2-methyl-N-[(2R)-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide is CN1C[C@H](c2ccccc2)[C@]2(CCCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(N)CO)C2)C1=O.

What is the InChIKey of 2-amino-3-hydroxy-2-methyl-N-[(2R)-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide?

The InChIKey is VYXSOIPVJGZZFP-KWQMMHLASA-N. The full InChI is InChI=1S/C29H38N4O5/c1-28(30,20-34)26(36)31-24(18-38-17-21-10-5-3-6-11-21)25(35)33-15-9-14-29(19-33)23(16-32(2)27(29)37)22-12-7-4-8-13-22/h3-8,10-13,23-24,34H,9,14-20,30H2,1-2H3,(H,31,36)/t23-,24-,28?,29-/m1/s1.

What are the key properties of 2-amino-3-hydroxy-2-methyl-N-[(2R)-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide?

2-amino-3-hydroxy-2-methyl-N-[(2R)-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide has a molecular weight of 522.65 g/mol, XLogP of 1.26, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-hydroxy-2-methyl-N-[(2R)-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide is sourced from PubChem (CID 71060255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).