2-aminoacetic acid;2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid

C26H57N9O12S2 — CID 173287265

About 2-aminoacetic acid;2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid

2-aminoacetic acid;2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid (PubChem CID 173287265) has the molecular formula C26H57N9O12S2 and a molecular weight of 751.93 g/mol. Its IUPAC name is 2-aminoacetic acid;2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid.

Molecular Properties

• Compound Name: 2-aminoacetic acid;2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid
• PubChem CID: 173287265
• Molecular Formula: C26H57N9O12S2
• Molecular Weight: 751.93 g/mol
• Exact Mass: 751.36
• IUPAC Name: 2-aminoacetic acid;2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid
• SMILES: CC(C)C[C@H](N)C(=O)O.CC[C@H](C)[C@H](N)C(=O)O.NC(CSSC[C@H](N)C(=O)O)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)O.NCC(=O)O
• InChI: InChI=1S/C6H14N4O2.C6H12N2O4S2.2C6H13NO2.C2H5NO2/c7-4(5(11)12)2-1-3-10-6(8)9;7-3(5(9)10)1-13-14-2-4(8)6(11)12;1-4(2)3-5(7)6(8)9;1-3-4(2)5(7)6(8)9;3-1-2(4)5/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3-4H,1-2,7-8H2,(H,9,10)(H,11,12);2*4-5H,3,7H2,1-2H3,(H,8,9);1,3H2,(H,4,5)/t4-;3-,4?;5-;4-,5-;/m0000./s1
• InChIKey: SKYSBQUKJNSUTG-SBKKVEPOSA-N
• XLogP: -2.44
• TPSA: 444.32 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 15
• Rotatable Bonds: 19
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	751.93
LogP ≤ 5	-2.44
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid?

The IUPAC name of 2-aminoacetic acid;2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid (CID 173287265) is 2-aminoacetic acid;2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid.

What is the SMILES notation for 2-aminoacetic acid;2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid?

The canonical SMILES for 2-aminoacetic acid;2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid is CC(C)C[C@H](N)C(=O)O.CC[C@H](C)[C@H](N)C(=O)O.NC(CSSC[C@H](N)C(=O)O)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)O.NCC(=O)O.

What is the InChIKey of 2-aminoacetic acid;2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid?

The InChIKey is SKYSBQUKJNSUTG-SBKKVEPOSA-N. The full InChI is InChI=1S/C6H14N4O2.C6H12N2O4S2.2C6H13NO2.C2H5NO2/c7-4(5(11)12)2-1-3-10-6(8)9;7-3(5(9)10)1-13-14-2-4(8)6(11)12;1-4(2)3-5(7)6(8)9;1-3-4(2)5(7)6(8)9;3-1-2(4)5/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3-4H,1-2,7-8H2,(H,9,10)(H,11,12);2*4-5H,3,7H2,1-2H3,(H,8,9);1,3H2,(H,4,5)/t4-;3-,4?;5-;4-,5-;/m0000./s1.

What are the key properties of 2-aminoacetic acid;2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid?

2-aminoacetic acid;2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid has a molecular weight of 751.93 g/mol, XLogP of -2.44, 19 rotatable bonds, 14 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoacetic acid;2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid is sourced from PubChem (CID 173287265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).