2-aminoacetic acid;(2S)-2,6-diaminohexanoic acid;N-(4-formylphenyl)acetamide;(2-methoxyphenyl)methanamine

C25H39N5O7 — CID 173277145

About 2-aminoacetic acid;(2S)-2,6-diaminohexanoic acid;N-(4-formylphenyl)acetamide;(2-methoxyphenyl)methanamine

2-aminoacetic acid;(2S)-2,6-diaminohexanoic acid;N-(4-formylphenyl)acetamide;(2-methoxyphenyl)methanamine (PubChem CID 173277145) has the molecular formula C25H39N5O7 and a molecular weight of 521.62 g/mol. Its IUPAC name is 2-aminoacetic acid;(2S)-2,6-diaminohexanoic acid;N-(4-formylphenyl)acetamide;(2-methoxyphenyl)methanamine.

Molecular Properties

• Compound Name: 2-aminoacetic acid;(2S)-2,6-diaminohexanoic acid;N-(4-formylphenyl)acetamide;(2-methoxyphenyl)methanamine
• PubChem CID: 173277145
• Molecular Formula: C25H39N5O7
• Molecular Weight: 521.62 g/mol
• Exact Mass: 521.28
• IUPAC Name: 2-aminoacetic acid;(2S)-2,6-diaminohexanoic acid;N-(4-formylphenyl)acetamide;(2-methoxyphenyl)methanamine
• SMILES: CC(=O)Nc1ccc(C=O)cc1.COc1ccccc1CN.NCC(=O)O.NCCCC[C@H](N)C(=O)O
• InChI: InChI=1S/C9H9NO2.C8H11NO.C6H14N2O2.C2H5NO2/c1-7(12)10-9-4-2-8(6-11)3-5-9;1-10-8-5-3-2-4-7(8)6-9;7-4-2-1-3-5(8)6(9)10;3-1-2(4)5/h2-6H,1H3,(H,10,12);2-5H,6,9H2,1H3;5H,1-4,7-8H2,(H,9,10);1,3H2,(H,4,5)/t;;5-;/m..0./s1
• InChIKey: IGLQLRBCQKYUMV-BAHCQAMFSA-N
• XLogP: 1.17
• TPSA: 234.08 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.62
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;(2S)-2,6-diaminohexanoic acid;N-(4-formylphenyl)acetamide;(2-methoxyphenyl)methanamine?

The IUPAC name of 2-aminoacetic acid;(2S)-2,6-diaminohexanoic acid;N-(4-formylphenyl)acetamide;(2-methoxyphenyl)methanamine (CID 173277145) is 2-aminoacetic acid;(2S)-2,6-diaminohexanoic acid;N-(4-formylphenyl)acetamide;(2-methoxyphenyl)methanamine.

What is the SMILES notation for 2-aminoacetic acid;(2S)-2,6-diaminohexanoic acid;N-(4-formylphenyl)acetamide;(2-methoxyphenyl)methanamine?

The canonical SMILES for 2-aminoacetic acid;(2S)-2,6-diaminohexanoic acid;N-(4-formylphenyl)acetamide;(2-methoxyphenyl)methanamine is CC(=O)Nc1ccc(C=O)cc1.COc1ccccc1CN.NCC(=O)O.NCCCC[C@H](N)C(=O)O.

What is the InChIKey of 2-aminoacetic acid;(2S)-2,6-diaminohexanoic acid;N-(4-formylphenyl)acetamide;(2-methoxyphenyl)methanamine?

The InChIKey is IGLQLRBCQKYUMV-BAHCQAMFSA-N. The full InChI is InChI=1S/C9H9NO2.C8H11NO.C6H14N2O2.C2H5NO2/c1-7(12)10-9-4-2-8(6-11)3-5-9;1-10-8-5-3-2-4-7(8)6-9;7-4-2-1-3-5(8)6(9)10;3-1-2(4)5/h2-6H,1H3,(H,10,12);2-5H,6,9H2,1H3;5H,1-4,7-8H2,(H,9,10);1,3H2,(H,4,5)/t;;5-;/m..0./s1.

What are the key properties of 2-aminoacetic acid;(2S)-2,6-diaminohexanoic acid;N-(4-formylphenyl)acetamide;(2-methoxyphenyl)methanamine?

2-aminoacetic acid;(2S)-2,6-diaminohexanoic acid;N-(4-formylphenyl)acetamide;(2-methoxyphenyl)methanamine has a molecular weight of 521.62 g/mol, XLogP of 1.17, 10 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoacetic acid;(2S)-2,6-diaminohexanoic acid;N-(4-formylphenyl)acetamide;(2-methoxyphenyl)methanamine is sourced from PubChem (CID 173277145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).