(2S)-2-amino-3-hydroxypropanamide;2-(hexadecanoylamino)-8-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]-5-oxooctanoic acid;N-[(5S)-5-methyl-6-oxoheptyl]-2-(2-propoxyethoxy)acetamide

C47H91N5O13 — CID 157348574

About (2S)-2-amino-3-hydroxypropanamide;2-(hexadecanoylamino)-8-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]-5-oxooctanoic acid;N-[(5S)-5-methyl-6-oxoheptyl]-2-(2-propoxyethoxy)acetamide

(2S)-2-amino-3-hydroxypropanamide;2-(hexadecanoylamino)-8-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]-5-oxooctanoic acid;N-[(5S)-5-methyl-6-oxoheptyl]-2-(2-propoxyethoxy)acetamide (PubChem CID 157348574) has the molecular formula C47H91N5O13 and a molecular weight of 934.27 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxypropanamide;2-(hexadecanoylamino)-8-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]-5-oxooctanoic acid;N-[(5S)-5-methyl-6-oxoheptyl]-2-(2-propoxyethoxy)acetamide.

Molecular Properties

• Compound Name: (2S)-2-amino-3-hydroxypropanamide;2-(hexadecanoylamino)-8-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]-5-oxooctanoic acid;N-[(5S)-5-methyl-6-oxoheptyl]-2-(2-propoxyethoxy)acetamide
• PubChem CID: 157348574
• Molecular Formula: C47H91N5O13
• Molecular Weight: 934.27 g/mol
• Exact Mass: 933.66
• IUPAC Name: (2S)-2-amino-3-hydroxypropanamide;2-(hexadecanoylamino)-8-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]-5-oxooctanoic acid;N-[(5S)-5-methyl-6-oxoheptyl]-2-(2-propoxyethoxy)acetamide
• SMILES: CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)CCCOCCOCC(=O)NC)C(=O)O.CCCOCCOCC(=O)NCCCC[C@H](C)C(C)=O.NC(=O)[C@@H](N)CO
• InChI: InChI=1S/C29H54N2O7.C15H29NO4.C3H8N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27(33)31-26(29(35)36)20-19-25(32)17-16-21-37-22-23-38-24-28(34)30-2;1-4-9-19-10-11-20-12-15(18)16-8-6-5-7-13(2)14(3)17;4-2(1-6)3(5)7/h26H,3-24H2,1-2H3,(H,30,34)(H,31,33)(H,35,36);13H,4-12H2,1-3H3,(H,16,18);2,6H,1,4H2,(H2,5,7)/t;13-;2-/m.00/s1
• InChIKey: BHGMFAWWBXWWHG-HOLKJWRQSA-N
• XLogP: 4.68
• TPSA: 285.00 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 43
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	934.27
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxypropanamide;2-(hexadecanoylamino)-8-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]-5-oxooctanoic acid;N-[(5S)-5-methyl-6-oxoheptyl]-2-(2-propoxyethoxy)acetamide?

The IUPAC name of (2S)-2-amino-3-hydroxypropanamide;2-(hexadecanoylamino)-8-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]-5-oxooctanoic acid;N-[(5S)-5-methyl-6-oxoheptyl]-2-(2-propoxyethoxy)acetamide (CID 157348574) is (2S)-2-amino-3-hydroxypropanamide;2-(hexadecanoylamino)-8-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]-5-oxooctanoic acid;N-[(5S)-5-methyl-6-oxoheptyl]-2-(2-propoxyethoxy)acetamide.

What is the SMILES notation for (2S)-2-amino-3-hydroxypropanamide;2-(hexadecanoylamino)-8-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]-5-oxooctanoic acid;N-[(5S)-5-methyl-6-oxoheptyl]-2-(2-propoxyethoxy)acetamide?

The canonical SMILES for (2S)-2-amino-3-hydroxypropanamide;2-(hexadecanoylamino)-8-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]-5-oxooctanoic acid;N-[(5S)-5-methyl-6-oxoheptyl]-2-(2-propoxyethoxy)acetamide is CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)CCCOCCOCC(=O)NC)C(=O)O.CCCOCCOCC(=O)NCCCC[C@H](C)C(C)=O.NC(=O)[C@@H](N)CO.

What is the InChIKey of (2S)-2-amino-3-hydroxypropanamide;2-(hexadecanoylamino)-8-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]-5-oxooctanoic acid;N-[(5S)-5-methyl-6-oxoheptyl]-2-(2-propoxyethoxy)acetamide?

The InChIKey is BHGMFAWWBXWWHG-HOLKJWRQSA-N. The full InChI is InChI=1S/C29H54N2O7.C15H29NO4.C3H8N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27(33)31-26(29(35)36)20-19-25(32)17-16-21-37-22-23-38-24-28(34)30-2;1-4-9-19-10-11-20-12-15(18)16-8-6-5-7-13(2)14(3)17;4-2(1-6)3(5)7/h26H,3-24H2,1-2H3,(H,30,34)(H,31,33)(H,35,36);13H,4-12H2,1-3H3,(H,16,18);2,6H,1,4H2,(H2,5,7)/t;13-;2-/m.00/s1.

What are the key properties of (2S)-2-amino-3-hydroxypropanamide;2-(hexadecanoylamino)-8-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]-5-oxooctanoic acid;N-[(5S)-5-methyl-6-oxoheptyl]-2-(2-propoxyethoxy)acetamide?

(2S)-2-amino-3-hydroxypropanamide;2-(hexadecanoylamino)-8-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]-5-oxooctanoic acid;N-[(5S)-5-methyl-6-oxoheptyl]-2-(2-propoxyethoxy)acetamide has a molecular weight of 934.27 g/mol, XLogP of 4.68, 43 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-3-hydroxypropanamide;2-(hexadecanoylamino)-8-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]-5-oxooctanoic acid;N-[(5S)-5-methyl-6-oxoheptyl]-2-(2-propoxyethoxy)acetamide is sourced from PubChem (CID 157348574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).