2-aminoacetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-phenylpropanoic acid

C17H30N6O6 — CID 20639043

About 2-aminoacetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-phenylpropanoic acid

2-aminoacetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-phenylpropanoic acid (PubChem CID 20639043) has the molecular formula C17H30N6O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is 2-aminoacetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-phenylpropanoic acid.

Molecular Properties

• Compound Name: 2-aminoacetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-phenylpropanoic acid
• PubChem CID: 20639043
• Molecular Formula: C17H30N6O6
• Molecular Weight: 414.46 g/mol
• Exact Mass: 414.22
• IUPAC Name: 2-aminoacetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-phenylpropanoic acid
• SMILES: NC(N)=NCCC[C@H](N)C(=O)O.NCC(=O)O.N[C@@H](Cc1ccccc1)C(=O)O
• InChI: InChI=1S/C9H11NO2.C6H14N4O2.C2H5NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7;7-4(5(11)12)2-1-3-10-6(8)9;3-1-2(4)5/h1-5,8H,6,10H2,(H,11,12);4H,1-3,7H2,(H,11,12)(H4,8,9,10);1,3H2,(H,4,5)/t8-;4-;/m00./s1
• InChIKey: XXKYZSOMMHOFFI-OMSMUOAWSA-N
• XLogP: -1.88
• TPSA: 254.36 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.46
LogP ≤ 5	-1.88
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-phenylpropanoic acid?

The IUPAC name of 2-aminoacetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-phenylpropanoic acid (CID 20639043) is 2-aminoacetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-phenylpropanoic acid.

What is the SMILES notation for 2-aminoacetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-phenylpropanoic acid?

The canonical SMILES for 2-aminoacetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-phenylpropanoic acid is NC(N)=NCCC[C@H](N)C(=O)O.NCC(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.

What is the InChIKey of 2-aminoacetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-phenylpropanoic acid?

The InChIKey is XXKYZSOMMHOFFI-OMSMUOAWSA-N. The full InChI is InChI=1S/C9H11NO2.C6H14N4O2.C2H5NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7;7-4(5(11)12)2-1-3-10-6(8)9;3-1-2(4)5/h1-5,8H,6,10H2,(H,11,12);4H,1-3,7H2,(H,11,12)(H4,8,9,10);1,3H2,(H,4,5)/t8-;4-;/m00./s1.

What are the key properties of 2-aminoacetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-phenylpropanoic acid?

2-aminoacetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-phenylpropanoic acid has a molecular weight of 414.46 g/mol, XLogP of -1.88, 9 rotatable bonds, 8 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoacetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-phenylpropanoic acid is sourced from PubChem (CID 20639043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).