(2R,3S)-3-hydroxy-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-2-carboxamide

C29H37N3O5 — CID 118699337

About (2R,3S)-3-hydroxy-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-2-carboxamide

(2R,3S)-3-hydroxy-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-2-carboxamide (PubChem CID 118699337) has the molecular formula C29H37N3O5 and a molecular weight of 507.63 g/mol. Its IUPAC name is (2R,3S)-3-hydroxy-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R,3S)-3-hydroxy-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-2-carboxamide
• PubChem CID: 118699337
• Molecular Formula: C29H37N3O5
• Molecular Weight: 507.63 g/mol
• Exact Mass: 507.27
• IUPAC Name: (2R,3S)-3-hydroxy-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-2-carboxamide
• SMILES: COc1ccc(C[C@H](NC(=O)[C@@H]2NCCC[C@@H]2O)C(=O)N[C@@H](Cc2ccccc2)C(=O)C2(C)CC2)cc1
• InChI: InChI=1S/C29H37N3O5/c1-29(14-15-29)26(34)22(17-19-7-4-3-5-8-19)31-27(35)23(18-20-10-12-21(37-2)13-11-20)32-28(36)25-24(33)9-6-16-30-25/h3-5,7-8,10-13,22-25,30,33H,6,9,14-18H2,1-2H3,(H,31,35)(H,32,36)/t22-,23-,24-,25+/m0/s1
• InChIKey: HNPBYCOUSGGBCH-OJJQZRKESA-N
• XLogP: 1.93
• TPSA: 116.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.63
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-hydroxy-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-2-carboxamide?

The IUPAC name of (2R,3S)-3-hydroxy-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-2-carboxamide (CID 118699337) is (2R,3S)-3-hydroxy-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-2-carboxamide.

What is the SMILES notation for (2R,3S)-3-hydroxy-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-2-carboxamide?

The canonical SMILES for (2R,3S)-3-hydroxy-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-2-carboxamide is COc1ccc(C[C@H](NC(=O)[C@@H]2NCCC[C@@H]2O)C(=O)N[C@@H](Cc2ccccc2)C(=O)C2(C)CC2)cc1.

What is the InChIKey of (2R,3S)-3-hydroxy-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-2-carboxamide?

The InChIKey is HNPBYCOUSGGBCH-OJJQZRKESA-N. The full InChI is InChI=1S/C29H37N3O5/c1-29(14-15-29)26(34)22(17-19-7-4-3-5-8-19)31-27(35)23(18-20-10-12-21(37-2)13-11-20)32-28(36)25-24(33)9-6-16-30-25/h3-5,7-8,10-13,22-25,30,33H,6,9,14-18H2,1-2H3,(H,31,35)(H,32,36)/t22-,23-,24-,25+/m0/s1.

What are the key properties of (2R,3S)-3-hydroxy-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-2-carboxamide?

(2R,3S)-3-hydroxy-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-2-carboxamide has a molecular weight of 507.63 g/mol, XLogP of 1.93, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S)-3-hydroxy-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 118699337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).