2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride

C27H36ClN3O4 — CID 45265352

About 2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride

2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride (PubChem CID 45265352) has the molecular formula C27H36ClN3O4 and a molecular weight of 502.06 g/mol. Its IUPAC name is 2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride.

Molecular Properties

• Compound Name: 2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride
• PubChem CID: 45265352
• Molecular Formula: C27H36ClN3O4
• Molecular Weight: 502.06 g/mol
• Exact Mass: 501.24
• IUPAC Name: 2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride
• SMILES: CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CC(O)c1ccccc12.Cl
• InChI: InChI=1S/C27H35N3O4.ClH/c1-26(2,28)25(33)29-22(18-34-17-19-8-4-3-5-9-19)24(32)30-14-12-27(13-15-30)16-23(31)20-10-6-7-11-21(20)27;/h3-11,22-23,31H,12-18,28H2,1-2H3,(H,29,33);1H/t22-,23?;/m1./s1
• InChIKey: KWUFJVCXXLDQAP-GCUSPBPKSA-N
• XLogP: 2.84
• TPSA: 104.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.06
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride?

The IUPAC name of 2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride (CID 45265352) is 2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride.

What is the SMILES notation for 2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride?

The canonical SMILES for 2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride is CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CC(O)c1ccccc12.Cl.

What is the InChIKey of 2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride?

The InChIKey is KWUFJVCXXLDQAP-GCUSPBPKSA-N. The full InChI is InChI=1S/C27H35N3O4.ClH/c1-26(2,28)25(33)29-22(18-34-17-19-8-4-3-5-9-19)24(32)30-14-12-27(13-15-30)16-23(31)20-10-6-7-11-21(20)27;/h3-11,22-23,31H,12-18,28H2,1-2H3,(H,29,33);1H/t22-,23?;/m1./s1.

What are the key properties of 2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride?

2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride has a molecular weight of 502.06 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 45265352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).