cyclopentyl (2S)-2-(methylamino)-2-phenylacetate;N-hydroxy-8-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-8-oxooctanamide

C34H46N4O5 — CID 143322204

About cyclopentyl (2S)-2-(methylamino)-2-phenylacetate;N-hydroxy-8-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-8-oxooctanamide

cyclopentyl (2S)-2-(methylamino)-2-phenylacetate;N-hydroxy-8-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-8-oxooctanamide (PubChem CID 143322204) has the molecular formula C34H46N4O5 and a molecular weight of 590.77 g/mol. Its IUPAC name is cyclopentyl (2S)-2-(methylamino)-2-phenylacetate;N-hydroxy-8-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-8-oxooctanamide.

Molecular Properties

• Compound Name: cyclopentyl (2S)-2-(methylamino)-2-phenylacetate;N-hydroxy-8-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-8-oxooctanamide
• PubChem CID: 143322204
• Molecular Formula: C34H46N4O5
• Molecular Weight: 590.77 g/mol
• Exact Mass: 590.35
• IUPAC Name: cyclopentyl (2S)-2-(methylamino)-2-phenylacetate;N-hydroxy-8-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-8-oxooctanamide
• SMILES: CC1c2[nH]c3ccccc3c2CCN1C(=O)CCCCCCC(=O)NO.CN[C@H](C(=O)OC1CCCC1)c1ccccc1
• InChI: InChI=1S/C20H27N3O3.C14H19NO2/c1-14-20-16(15-8-6-7-9-17(15)21-20)12-13-23(14)19(25)11-5-3-2-4-10-18(24)22-26;1-15-13(11-7-3-2-4-8-11)14(16)17-12-9-5-6-10-12/h6-9,14,21,26H,2-5,10-13H2,1H3,(H,22,24);2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t;13-/m.0/s1
• InChIKey: RAEYXHVNGAIQHB-RSJBZBQMSA-N
• XLogP: 5.89
• TPSA: 123.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.77
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopentyl (2S)-2-(methylamino)-2-phenylacetate;N-hydroxy-8-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-8-oxooctanamide?

The IUPAC name of cyclopentyl (2S)-2-(methylamino)-2-phenylacetate;N-hydroxy-8-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-8-oxooctanamide (CID 143322204) is cyclopentyl (2S)-2-(methylamino)-2-phenylacetate;N-hydroxy-8-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-8-oxooctanamide.

What is the SMILES notation for cyclopentyl (2S)-2-(methylamino)-2-phenylacetate;N-hydroxy-8-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-8-oxooctanamide?

The canonical SMILES for cyclopentyl (2S)-2-(methylamino)-2-phenylacetate;N-hydroxy-8-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-8-oxooctanamide is CC1c2[nH]c3ccccc3c2CCN1C(=O)CCCCCCC(=O)NO.CN[C@H](C(=O)OC1CCCC1)c1ccccc1.

What is the InChIKey of cyclopentyl (2S)-2-(methylamino)-2-phenylacetate;N-hydroxy-8-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-8-oxooctanamide?

The InChIKey is RAEYXHVNGAIQHB-RSJBZBQMSA-N. The full InChI is InChI=1S/C20H27N3O3.C14H19NO2/c1-14-20-16(15-8-6-7-9-17(15)21-20)12-13-23(14)19(25)11-5-3-2-4-10-18(24)22-26;1-15-13(11-7-3-2-4-8-11)14(16)17-12-9-5-6-10-12/h6-9,14,21,26H,2-5,10-13H2,1H3,(H,22,24);2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t;13-/m.0/s1.

What are the key properties of cyclopentyl (2S)-2-(methylamino)-2-phenylacetate;N-hydroxy-8-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-8-oxooctanamide?

cyclopentyl (2S)-2-(methylamino)-2-phenylacetate;N-hydroxy-8-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-8-oxooctanamide has a molecular weight of 590.77 g/mol, XLogP of 5.89, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl (2S)-2-(methylamino)-2-phenylacetate;N-hydroxy-8-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-8-oxooctanamide is sourced from PubChem (CID 143322204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).