[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] carbamate

C21H23N3O3 — CID 67811308

About [(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] carbamate

[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] carbamate (PubChem CID 67811308) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is [(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] carbamate.

Molecular Properties

• Compound Name: [(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] carbamate
• PubChem CID: 67811308
• Molecular Formula: C21H23N3O3
• Molecular Weight: 365.43 g/mol
• Exact Mass: 365.17
• IUPAC Name: [(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] carbamate
• SMILES: C[C@H](NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)OC(N)=O)c1ccccc1
• InChI: InChI=1S/C21H23N3O3/c1-14(15-8-4-3-5-9-15)24-19(25)21(2,27-20(22)26)12-16-13-23-18-11-7-6-10-17(16)18/h3-11,13-14,23H,12H2,1-2H3,(H2,22,26)(H,24,25)/t14-,21+/m0/s1
• InChIKey: KNPXXPIHCGUEDW-LHSJRXKWSA-N
• XLogP: 3.44
• TPSA: 97.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.43
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] carbamate?

The IUPAC name of [(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] carbamate (CID 67811308) is [(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] carbamate.

What is the SMILES notation for [(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] carbamate?

The canonical SMILES for [(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] carbamate is C[C@H](NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)OC(N)=O)c1ccccc1.

What is the InChIKey of [(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] carbamate?

The InChIKey is KNPXXPIHCGUEDW-LHSJRXKWSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14(15-8-4-3-5-9-15)24-19(25)21(2,27-20(22)26)12-16-13-23-18-11-7-6-10-17(16)18/h3-11,13-14,23H,12H2,1-2H3,(H2,22,26)(H,24,25)/t14-,21+/m0/s1.

What are the key properties of [(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] carbamate?

[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] carbamate has a molecular weight of 365.43 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] carbamate is sourced from PubChem (CID 67811308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).