2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid

C26H46N6O16S — CID 173349915

About 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid

2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid (PubChem CID 173349915) has the molecular formula C26H46N6O16S and a molecular weight of 730.75 g/mol. Its IUPAC name is 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid.

Molecular Properties

• Compound Name: 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
• PubChem CID: 173349915
• Molecular Formula: C26H46N6O16S
• Molecular Weight: 730.75 g/mol
• Exact Mass: 730.27
• IUPAC Name: 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
• SMILES: C[C@H](N)C(=O)O.NCC(=O)O.N[C@@H](CC(=O)O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CS)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O
• InChI: InChI=1S/C9H11NO2.C5H9NO4.C4H7NO4.C3H7NO2S.C3H7NO2.C2H5NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7;6-3(5(9)10)1-2-4(7)8;5-2(4(8)9)1-3(6)7;4-2(1-7)3(5)6;1-2(4)3(5)6;3-1-2(4)5/h1-5,8H,6,10H2,(H,11,12);3H,1-2,6H2,(H,7,8)(H,9,10);2H,1,5H2,(H,6,7)(H,8,9);2,7H,1,4H2,(H,5,6);2H,4H2,1H3,(H,5,6);1,3H2,(H,4,5)/t8-;3-;3*2-;/m00000./s1
• InChIKey: OJJJISMGHZTMLL-BYKNLKBPSA-N
• XLogP: -3.45
• TPSA: 454.52 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	730.75
LogP ≤ 5	-3.45
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid?

The IUPAC name of 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid (CID 173349915) is 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid.

What is the SMILES notation for 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid?

The canonical SMILES for 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid is C[C@H](N)C(=O)O.NCC(=O)O.N[C@@H](CC(=O)O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CS)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.

What is the InChIKey of 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid?

The InChIKey is OJJJISMGHZTMLL-BYKNLKBPSA-N. The full InChI is InChI=1S/C9H11NO2.C5H9NO4.C4H7NO4.C3H7NO2S.C3H7NO2.C2H5NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7;6-3(5(9)10)1-2-4(7)8;5-2(4(8)9)1-3(6)7;4-2(1-7)3(5)6;1-2(4)3(5)6;3-1-2(4)5/h1-5,8H,6,10H2,(H,11,12);3H,1-2,6H2,(H,7,8)(H,9,10);2H,1,5H2,(H,6,7)(H,8,9);2,7H,1,4H2,(H,5,6);2H,4H2,1H3,(H,5,6);1,3H2,(H,4,5)/t8-;3-;3*2-;/m00000./s1.

What are the key properties of 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid?

2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid has a molecular weight of 730.75 g/mol, XLogP of -3.45, 14 rotatable bonds, 15 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid is sourced from PubChem (CID 173349915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).