(2S)-2,5-diaminopentanoic acid;N-(4-formylphenyl)acetamide;2-naphthalen-2-ylacetic acid;2-phenylethanamine

C34H42N4O6 — CID 159642614

About (2S)-2,5-diaminopentanoic acid;N-(4-formylphenyl)acetamide;2-naphthalen-2-ylacetic acid;2-phenylethanamine

(2S)-2,5-diaminopentanoic acid;N-(4-formylphenyl)acetamide;2-naphthalen-2-ylacetic acid;2-phenylethanamine (PubChem CID 159642614) has the molecular formula C34H42N4O6 and a molecular weight of 602.73 g/mol. Its IUPAC name is (2S)-2,5-diaminopentanoic acid;N-(4-formylphenyl)acetamide;2-naphthalen-2-ylacetic acid;2-phenylethanamine.

Molecular Properties

• Compound Name: (2S)-2,5-diaminopentanoic acid;N-(4-formylphenyl)acetamide;2-naphthalen-2-ylacetic acid;2-phenylethanamine
• PubChem CID: 159642614
• Molecular Formula: C34H42N4O6
• Molecular Weight: 602.73 g/mol
• Exact Mass: 602.31
• IUPAC Name: (2S)-2,5-diaminopentanoic acid;N-(4-formylphenyl)acetamide;2-naphthalen-2-ylacetic acid;2-phenylethanamine
• SMILES: CC(=O)Nc1ccc(C=O)cc1.NCCC[C@H](N)C(=O)O.NCCc1ccccc1.O=C(O)Cc1ccc2ccccc2c1
• InChI: InChI=1S/C12H10O2.C9H9NO2.C8H11N.C5H12N2O2/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9;1-7(12)10-9-4-2-8(6-11)3-5-9;9-7-6-8-4-2-1-3-5-8;6-3-1-2-4(7)5(8)9/h1-7H,8H2,(H,13,14);2-6H,1H3,(H,10,12);1-5H,6-7,9H2;4H,1-3,6-7H2,(H,8,9)/t;;;4-/m...0/s1
• InChIKey: MQNWLYYKIGGWNM-MGHYSPGUSA-N
• XLogP: 4.25
• TPSA: 198.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.73
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diaminopentanoic acid;N-(4-formylphenyl)acetamide;2-naphthalen-2-ylacetic acid;2-phenylethanamine?

The IUPAC name of (2S)-2,5-diaminopentanoic acid;N-(4-formylphenyl)acetamide;2-naphthalen-2-ylacetic acid;2-phenylethanamine (CID 159642614) is (2S)-2,5-diaminopentanoic acid;N-(4-formylphenyl)acetamide;2-naphthalen-2-ylacetic acid;2-phenylethanamine.

What is the SMILES notation for (2S)-2,5-diaminopentanoic acid;N-(4-formylphenyl)acetamide;2-naphthalen-2-ylacetic acid;2-phenylethanamine?

The canonical SMILES for (2S)-2,5-diaminopentanoic acid;N-(4-formylphenyl)acetamide;2-naphthalen-2-ylacetic acid;2-phenylethanamine is CC(=O)Nc1ccc(C=O)cc1.NCCC[C@H](N)C(=O)O.NCCc1ccccc1.O=C(O)Cc1ccc2ccccc2c1.

What is the InChIKey of (2S)-2,5-diaminopentanoic acid;N-(4-formylphenyl)acetamide;2-naphthalen-2-ylacetic acid;2-phenylethanamine?

The InChIKey is MQNWLYYKIGGWNM-MGHYSPGUSA-N. The full InChI is InChI=1S/C12H10O2.C9H9NO2.C8H11N.C5H12N2O2/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9;1-7(12)10-9-4-2-8(6-11)3-5-9;9-7-6-8-4-2-1-3-5-8;6-3-1-2-4(7)5(8)9/h1-7H,8H2,(H,13,14);2-6H,1H3,(H,10,12);1-5H,6-7,9H2;4H,1-3,6-7H2,(H,8,9)/t;;;4-/m...0/s1.

What are the key properties of (2S)-2,5-diaminopentanoic acid;N-(4-formylphenyl)acetamide;2-naphthalen-2-ylacetic acid;2-phenylethanamine?

(2S)-2,5-diaminopentanoic acid;N-(4-formylphenyl)acetamide;2-naphthalen-2-ylacetic acid;2-phenylethanamine has a molecular weight of 602.73 g/mol, XLogP of 4.25, 10 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2,5-diaminopentanoic acid;N-(4-formylphenyl)acetamide;2-naphthalen-2-ylacetic acid;2-phenylethanamine is sourced from PubChem (CID 159642614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).