2-aminoacetic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,5-diamino-5-oxopentanoic acid

C13H24N6O7 — CID 174882027

About 2-aminoacetic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,5-diamino-5-oxopentanoic acid

2-aminoacetic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,5-diamino-5-oxopentanoic acid (PubChem CID 174882027) has the molecular formula C13H24N6O7 and a molecular weight of 376.37 g/mol. Its IUPAC name is 2-aminoacetic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,5-diamino-5-oxopentanoic acid.

Molecular Properties

• Compound Name: 2-aminoacetic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,5-diamino-5-oxopentanoic acid
• PubChem CID: 174882027
• Molecular Formula: C13H24N6O7
• Molecular Weight: 376.37 g/mol
• Exact Mass: 376.17
• IUPAC Name: 2-aminoacetic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,5-diamino-5-oxopentanoic acid
• SMILES: NC(=O)CCC(N)C(=O)O.NCC(=O)O.N[C@@H](Cc1cnc[nH]1)C(=O)O
• InChI: InChI=1S/C6H9N3O2.C5H10N2O3.C2H5NO2/c7-5(6(10)11)1-4-2-8-3-9-4;6-3(5(9)10)1-2-4(7)8;3-1-2(4)5/h2-3,5H,1,7H2,(H,8,9)(H,10,11);3H,1-2,6H2,(H2,7,8)(H,9,10);1,3H2,(H,4,5)/t5-;;/m0../s1
• InChIKey: BTYMAQCCCIKUQB-XRIGFGBMSA-N
• XLogP: -2.94
• TPSA: 261.73 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	376.37
LogP ≤ 5	-2.94
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,5-diamino-5-oxopentanoic acid?

The IUPAC name of 2-aminoacetic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,5-diamino-5-oxopentanoic acid (CID 174882027) is 2-aminoacetic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,5-diamino-5-oxopentanoic acid.

What is the SMILES notation for 2-aminoacetic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,5-diamino-5-oxopentanoic acid?

The canonical SMILES for 2-aminoacetic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,5-diamino-5-oxopentanoic acid is NC(=O)CCC(N)C(=O)O.NCC(=O)O.N[C@@H](Cc1cnc[nH]1)C(=O)O.

What is the InChIKey of 2-aminoacetic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,5-diamino-5-oxopentanoic acid?

The InChIKey is BTYMAQCCCIKUQB-XRIGFGBMSA-N. The full InChI is InChI=1S/C6H9N3O2.C5H10N2O3.C2H5NO2/c7-5(6(10)11)1-4-2-8-3-9-4;6-3(5(9)10)1-2-4(7)8;3-1-2(4)5/h2-3,5H,1,7H2,(H,8,9)(H,10,11);3H,1-2,6H2,(H2,7,8)(H,9,10);1,3H2,(H,4,5)/t5-;;/m0../s1.

What are the key properties of 2-aminoacetic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,5-diamino-5-oxopentanoic acid?

2-aminoacetic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,5-diamino-5-oxopentanoic acid has a molecular weight of 376.37 g/mol, XLogP of -2.94, 8 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoacetic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,5-diamino-5-oxopentanoic acid is sourced from PubChem (CID 174882027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).