2-aminoacetic acid;(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,3-dihydroxybutanedioic acid

C22H37N7O16S — CID 173374587

About 2-aminoacetic acid;(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,3-dihydroxybutanedioic acid

2-aminoacetic acid;(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,3-dihydroxybutanedioic acid (PubChem CID 173374587) has the molecular formula C22H37N7O16S and a molecular weight of 687.64 g/mol. Its IUPAC name is 2-aminoacetic acid;(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,3-dihydroxybutanedioic acid.

Molecular Properties

• Compound Name: 2-aminoacetic acid;(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,3-dihydroxybutanedioic acid
• PubChem CID: 173374587
• Molecular Formula: C22H37N7O16S
• Molecular Weight: 687.64 g/mol
• Exact Mass: 687.20
• IUPAC Name: 2-aminoacetic acid;(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,3-dihydroxybutanedioic acid
• SMILES: NC(Cc1cnc[nH]1)C(=O)O.NCC(=O)O.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O.O=C(O)C(O)C(O)C(=O)O
• InChI: InChI=1S/C10H17N3O6S.C6H9N3O2.C4H6O6.C2H5NO2/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16;7-5(6(10)11)1-4-2-8-3-9-4;5-1(3(7)8)2(6)4(9)10;3-1-2(4)5/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19);2-3,5H,1,7H2,(H,8,9)(H,10,11);1-2,5-6H,(H,7,8)(H,9,10);1,3H2,(H,4,5)/t5-,6-;;;/m0.../s1
• InChIKey: QTOGPLCBMSQJQO-VDBFCSKJSA-N
• XLogP: -5.93
• TPSA: 429.20 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	687.64
LogP ≤ 5	-5.93
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-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,3-dihydroxybutanedioic acid?

The IUPAC name of 2-aminoacetic acid;(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,3-dihydroxybutanedioic acid (CID 173374587) is 2-aminoacetic acid;(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,3-dihydroxybutanedioic acid.

What is the SMILES notation for 2-aminoacetic acid;(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,3-dihydroxybutanedioic acid?

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

What is the InChIKey of 2-aminoacetic acid;(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,3-dihydroxybutanedioic acid?

The InChIKey is QTOGPLCBMSQJQO-VDBFCSKJSA-N. The full InChI is InChI=1S/C10H17N3O6S.C6H9N3O2.C4H6O6.C2H5NO2/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16;7-5(6(10)11)1-4-2-8-3-9-4;5-1(3(7)8)2(6)4(9)10;3-1-2(4)5/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19);2-3,5H,1,7H2,(H,8,9)(H,10,11);1-2,5-6H,(H,7,8)(H,9,10);1,3H2,(H,4,5)/t5-,6-;;;/m0.../s1.

What are the key properties of 2-aminoacetic acid;(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,3-dihydroxybutanedioic acid?

2-aminoacetic acid;(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,3-dihydroxybutanedioic acid has a molecular weight of 687.64 g/mol, XLogP of -5.93, 16 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-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,3-dihydroxybutanedioic acid is sourced from PubChem (CID 173374587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).