2-aminoacetic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;pyrrolidine-2-carboxylic acid

C13H23N5O6 — CID 66800763

About 2-aminoacetic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;pyrrolidine-2-carboxylic acid

2-aminoacetic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;pyrrolidine-2-carboxylic acid (PubChem CID 66800763) has the molecular formula C13H23N5O6 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-aminoacetic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;pyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-aminoacetic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;pyrrolidine-2-carboxylic acid
• PubChem CID: 66800763
• Molecular Formula: C13H23N5O6
• Molecular Weight: 345.36 g/mol
• Exact Mass: 345.16
• IUPAC Name: 2-aminoacetic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;pyrrolidine-2-carboxylic acid
• SMILES: NC(Cc1cnc[nH]1)C(=O)O.NCC(=O)O.O=C(O)C1CCCN1
• InChI: InChI=1S/C6H9N3O2.C5H9NO2.C2H5NO2/c7-5(6(10)11)1-4-2-8-3-9-4;7-5(8)4-2-1-3-6-4;3-1-2(4)5/h2-3,5H,1,7H2,(H,8,9)(H,10,11);4,6H,1-3H2,(H,7,8);1,3H2,(H,4,5)
• InChIKey: MLNCOKQIGXRGPR-UHFFFAOYSA-N
• XLogP: -1.78
• TPSA: 204.65 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	345.36
LogP ≤ 5	-1.78
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;pyrrolidine-2-carboxylic acid?

The IUPAC name of 2-aminoacetic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;pyrrolidine-2-carboxylic acid (CID 66800763) is 2-aminoacetic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;pyrrolidine-2-carboxylic acid.

What is the SMILES notation for 2-aminoacetic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;pyrrolidine-2-carboxylic acid?

The canonical SMILES for 2-aminoacetic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;pyrrolidine-2-carboxylic acid is NC(Cc1cnc[nH]1)C(=O)O.NCC(=O)O.O=C(O)C1CCCN1.

What is the InChIKey of 2-aminoacetic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;pyrrolidine-2-carboxylic acid?

The InChIKey is MLNCOKQIGXRGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2.C5H9NO2.C2H5NO2/c7-5(6(10)11)1-4-2-8-3-9-4;7-5(8)4-2-1-3-6-4;3-1-2(4)5/h2-3,5H,1,7H2,(H,8,9)(H,10,11);4,6H,1-3H2,(H,7,8);1,3H2,(H,4,5).

What are the key properties of 2-aminoacetic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;pyrrolidine-2-carboxylic acid?

2-aminoacetic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;pyrrolidine-2-carboxylic acid has a molecular weight of 345.36 g/mol, XLogP of -1.78, 5 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoacetic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 66800763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).