2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-pyrrolidine-2-carboxylic acid

C23H50N6O12S — CID 23531806

About 2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-pyrrolidine-2-carboxylic acid

2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 23531806) has the molecular formula C23H50N6O12S and a molecular weight of 634.75 g/mol. Its IUPAC name is 2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
• PubChem CID: 23531806
• Molecular Formula: C23H50N6O12S
• Molecular Weight: 634.75 g/mol
• Exact Mass: 634.32
• IUPAC Name: 2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
• SMILES: CC(C)[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NCC(=O)O.N[C@@H](CS)C(=O)O.O=C(O)[C@@H]1CCCN1
• InChI: InChI=1S/C5H9NO2.2C5H11NO2.C3H7NO2S.C3H7NO2.C2H5NO2/c7-5(8)4-2-1-3-6-4;2*1-3(2)4(6)5(7)8;4-2(1-7)3(5)6;1-2(4)3(5)6;3-1-2(4)5/h4,6H,1-3H2,(H,7,8);2*3-4H,6H2,1-2H3,(H,7,8);2,7H,1,4H2,(H,5,6);2H,4H2,1H3,(H,5,6);1,3H2,(H,4,5)/t3*4-;2*2-;/m00000./s1
• InChIKey: VNIOHTLJKUEQPK-LDKLOXJDSA-N
• XLogP: -2.29
• TPSA: 365.93 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	634.75
LogP ≤ 5	-2.29
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-pyrrolidine-2-carboxylic acid?

The IUPAC name of 2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-pyrrolidine-2-carboxylic acid (CID 23531806) is 2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-pyrrolidine-2-carboxylic acid.

What is the SMILES notation for 2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-pyrrolidine-2-carboxylic acid?

The canonical SMILES for 2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-pyrrolidine-2-carboxylic acid is CC(C)[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NCC(=O)O.N[C@@H](CS)C(=O)O.O=C(O)[C@@H]1CCCN1.

What is the InChIKey of 2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-pyrrolidine-2-carboxylic acid?

The InChIKey is VNIOHTLJKUEQPK-LDKLOXJDSA-N. The full InChI is InChI=1S/C5H9NO2.2C5H11NO2.C3H7NO2S.C3H7NO2.C2H5NO2/c7-5(8)4-2-1-3-6-4;2*1-3(2)4(6)5(7)8;4-2(1-7)3(5)6;1-2(4)3(5)6;3-1-2(4)5/h4,6H,1-3H2,(H,7,8);2*3-4H,6H2,1-2H3,(H,7,8);2,7H,1,4H2,(H,5,6);2H,4H2,1H3,(H,5,6);1,3H2,(H,4,5)/t3*4-;2*2-;/m00000./s1.

What are the key properties of 2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-pyrrolidine-2-carboxylic acid?

2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 634.75 g/mol, XLogP of -2.29, 9 rotatable bonds, 13 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 23531806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).