2-aminoacetic acid;(2-aminoacetyl) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;(2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-pyrrolidine-2-carboxylic acid

C29H61N13O16 — CID 173130795

About 2-aminoacetic acid;(2-aminoacetyl) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;(2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-pyrrolidine-2-carboxylic acid

2-aminoacetic acid;(2-aminoacetyl) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;(2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 173130795) has the molecular formula C29H61N13O16 and a molecular weight of 847.88 g/mol. Its IUPAC name is 2-aminoacetic acid;(2-aminoacetyl) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;(2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-aminoacetic acid;(2-aminoacetyl) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;(2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-pyrrolidine-2-carboxylic acid
• PubChem CID: 173130795
• Molecular Formula: C29H61N13O16
• Molecular Weight: 847.88 g/mol
• Exact Mass: 847.44
• IUPAC Name: 2-aminoacetic acid;(2-aminoacetyl) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;(2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-pyrrolidine-2-carboxylic acid
• SMILES: C[C@@H](O)[C@H](N)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)O.NCC(=O)O.NCC(=O)OC(=O)[C@@H](N)CCCN=C(N)N.N[C@@H](CC(=O)O)C(=O)O.O=C(O)[C@@H]1CCCN1
• InChI: InChI=1S/C8H17N5O3.C6H14N4O2.C5H9NO2.C4H7NO4.C4H9NO3.C2H5NO2/c9-4-6(14)16-7(15)5(10)2-1-3-13-8(11)12;7-4(5(11)12)2-1-3-10-6(8)9;7-5(8)4-2-1-3-6-4;5-2(4(8)9)1-3(6)7;1-2(6)3(5)4(7)8;3-1-2(4)5/h5H,1-4,9-10H2,(H4,11,12,13);4H,1-3,7H2,(H,11,12)(H4,8,9,10);4,6H,1-3H2,(H,7,8);2H,1,5H2,(H,6,7)(H,8,9);2-3,6H,5H2,1H3,(H,7,8);1,3H2,(H,4,5)/t5-;2*4-;2-;2-,3+;/m00001./s1
• InChIKey: KZJXVLONPFTRIM-SGTXUDAVSA-N
• XLogP: -7.65
• TPSA: 584.35 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	847.88
LogP ≤ 5	-7.65
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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-aminoacetyl) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;(2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-pyrrolidine-2-carboxylic acid?

The IUPAC name of 2-aminoacetic acid;(2-aminoacetyl) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;(2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-pyrrolidine-2-carboxylic acid (CID 173130795) is 2-aminoacetic acid;(2-aminoacetyl) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;(2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-pyrrolidine-2-carboxylic acid.

What is the SMILES notation for 2-aminoacetic acid;(2-aminoacetyl) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;(2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-pyrrolidine-2-carboxylic acid?

The canonical SMILES for 2-aminoacetic acid;(2-aminoacetyl) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;(2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-pyrrolidine-2-carboxylic acid is C[C@@H](O)[C@H](N)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)O.NCC(=O)O.NCC(=O)OC(=O)[C@@H](N)CCCN=C(N)N.N[C@@H](CC(=O)O)C(=O)O.O=C(O)[C@@H]1CCCN1.

What is the InChIKey of 2-aminoacetic acid;(2-aminoacetyl) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;(2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-pyrrolidine-2-carboxylic acid?

The InChIKey is KZJXVLONPFTRIM-SGTXUDAVSA-N. The full InChI is InChI=1S/C8H17N5O3.C6H14N4O2.C5H9NO2.C4H7NO4.C4H9NO3.C2H5NO2/c9-4-6(14)16-7(15)5(10)2-1-3-13-8(11)12;7-4(5(11)12)2-1-3-10-6(8)9;7-5(8)4-2-1-3-6-4;5-2(4(8)9)1-3(6)7;1-2(6)3(5)4(7)8;3-1-2(4)5/h5H,1-4,9-10H2,(H4,11,12,13);4H,1-3,7H2,(H,11,12)(H4,8,9,10);4,6H,1-3H2,(H,7,8);2H,1,5H2,(H,6,7)(H,8,9);2-3,6H,5H2,1H3,(H,7,8);1,3H2,(H,4,5)/t5-;2*4-;2-;2-,3+;/m00001./s1.

What are the key properties of 2-aminoacetic acid;(2-aminoacetyl) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;(2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-pyrrolidine-2-carboxylic acid?

2-aminoacetic acid;(2-aminoacetyl) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;(2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 847.88 g/mol, XLogP of -7.65, 18 rotatable bonds, 18 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoacetic acid;(2-aminoacetyl) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;(2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 173130795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).