N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide

C20H21N3O5 — CID 170508113

About N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide

N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide (PubChem CID 170508113) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide
• PubChem CID: 170508113
• Molecular Formula: C20H21N3O5
• Molecular Weight: 383.40 g/mol
• Exact Mass: 383.15
• IUPAC Name: N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide
• SMILES: Cc1cc(CCc2c[nH]c3ccccc23)oc(=O)c1C(=O)N[C@@H](CO)C(N)=O
• InChI: InChI=1S/C20H21N3O5/c1-11-8-13(7-6-12-9-22-15-5-3-2-4-14(12)15)28-20(27)17(11)19(26)23-16(10-24)18(21)25/h2-5,8-9,16,22,24H,6-7,10H2,1H3,(H2,21,25)(H,23,26)/t16-/m0/s1
• InChIKey: BEEVYPIBPRCKKK-INIZCTEOSA-N
• XLogP: 0.79
• TPSA: 138.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.40
LogP ≤ 5	0.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide?

The IUPAC name of N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide (CID 170508113) is N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide.

What is the SMILES notation for N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide?

The canonical SMILES for N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide is Cc1cc(CCc2c[nH]c3ccccc23)oc(=O)c1C(=O)N[C@@H](CO)C(N)=O.

What is the InChIKey of N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide?

The InChIKey is BEEVYPIBPRCKKK-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-11-8-13(7-6-12-9-22-15-5-3-2-4-14(12)15)28-20(27)17(11)19(26)23-16(10-24)18(21)25/h2-5,8-9,16,22,24H,6-7,10H2,1H3,(H2,21,25)(H,23,26)/t16-/m0/s1.

What are the key properties of N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide?

N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 0.79, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide is sourced from PubChem (CID 170508113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).