2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid

C25H47N7O16S — CID 173307065

About 2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid

2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid (PubChem CID 173307065) has the molecular formula C25H47N7O16S and a molecular weight of 733.75 g/mol. Its IUPAC name is 2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid.

Molecular Properties

• Compound Name: 2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid
• PubChem CID: 173307065
• Molecular Formula: C25H47N7O16S
• Molecular Weight: 733.75 g/mol
• Exact Mass: 733.28
• IUPAC Name: 2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid
• SMILES: C[C@@H](O)[C@H](N)C(=O)O.NC(=O)C[C@H](N)C(=O)O.NCC(=O)O.N[C@@H](CO)C(=O)O.N[C@@H](CS)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O
• InChI: InChI=1S/C9H11NO3.C4H8N2O3.C4H9NO3.C3H7NO3.C3H7NO2S.C2H5NO2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;5-2(4(8)9)1-3(6)7;1-2(6)3(5)4(7)8;4-2(1-5)3(6)7;4-2(1-7)3(5)6;3-1-2(4)5/h1-4,8,11H,5,10H2,(H,12,13);2H,1,5H2,(H2,6,7)(H,8,9);2-3,6H,5H2,1H3,(H,7,8);2,5H,1,4H2,(H,6,7);2,7H,1,4H2,(H,5,6);1,3H2,(H,4,5)/t8-;2-;2-,3+;2*2-;/m00100./s1
• InChIKey: IMLDLDNVXZRVJQ-QXGWFHCXSA-N
• XLogP: -5.85
• TPSA: 483.70 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	733.75
LogP ≤ 5	-5.85
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	17

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,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid?

The IUPAC name of 2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid (CID 173307065) is 2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid.

What is the SMILES notation for 2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid?

The canonical SMILES for 2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid is C[C@@H](O)[C@H](N)C(=O)O.NC(=O)C[C@H](N)C(=O)O.NCC(=O)O.N[C@@H](CO)C(=O)O.N[C@@H](CS)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O.

What is the InChIKey of 2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid?

The InChIKey is IMLDLDNVXZRVJQ-QXGWFHCXSA-N. The full InChI is InChI=1S/C9H11NO3.C4H8N2O3.C4H9NO3.C3H7NO3.C3H7NO2S.C2H5NO2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;5-2(4(8)9)1-3(6)7;1-2(6)3(5)4(7)8;4-2(1-5)3(6)7;4-2(1-7)3(5)6;3-1-2(4)5/h1-4,8,11H,5,10H2,(H,12,13);2H,1,5H2,(H2,6,7)(H,8,9);2-3,6H,5H2,1H3,(H,7,8);2,5H,1,4H2,(H,6,7);2,7H,1,4H2,(H,5,6);1,3H2,(H,4,5)/t8-;2-;2-,3+;2*2-;/m00100./s1.

What are the key properties of 2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid?

2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid has a molecular weight of 733.75 g/mol, XLogP of -5.85, 13 rotatable bonds, 17 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid is sourced from PubChem (CID 173307065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).