2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid

C31H59N9O14 — CID 175518486

About 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid

2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 175518486) has the molecular formula C31H59N9O14 and a molecular weight of 781.86 g/mol. Its IUPAC name is 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
• PubChem CID: 175518486
• Molecular Formula: C31H59N9O14
• Molecular Weight: 781.86 g/mol
• Exact Mass: 781.42
• IUPAC Name: 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
• SMILES: CC(C)CC(N)C(=O)O.NC(CO)C(=O)O.NC(Cc1ccc(O)cc1)C(=O)O.NC(N)=NCCCC(N)C(=O)O.NCC(=O)O.O=C(O)[C@@H]1CCCN1
• InChI: InChI=1S/C9H11NO3.C6H14N4O2.C6H13NO2.C5H9NO2.C3H7NO3.C2H5NO2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;7-4(5(11)12)2-1-3-10-6(8)9;1-4(2)3-5(7)6(8)9;7-5(8)4-2-1-3-6-4;4-2(1-5)3(6)7;3-1-2(4)5/h1-4,8,11H,5,10H2,(H,12,13);4H,1-3,7H2,(H,11,12)(H4,8,9,10);4-5H,3,7H2,1-2H3,(H,8,9);4,6H,1-3H2,(H,7,8);2,5H,1,4H2,(H,6,7);1,3H2,(H,4,5)/t;;;4-;;/m...0../s1
• InChIKey: CCNNQJXBTIPCKJ-KSWKJGEESA-N
• XLogP: -3.51
• TPSA: 470.79 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	781.86
LogP ≤ 5	-3.51
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid?

The IUPAC name of 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid (CID 175518486) is 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid.

What is the SMILES notation for 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid?

The canonical SMILES for 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid is CC(C)CC(N)C(=O)O.NC(CO)C(=O)O.NC(Cc1ccc(O)cc1)C(=O)O.NC(N)=NCCCC(N)C(=O)O.NCC(=O)O.O=C(O)[C@@H]1CCCN1.

What is the InChIKey of 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid?

The InChIKey is CCNNQJXBTIPCKJ-KSWKJGEESA-N. The full InChI is InChI=1S/C9H11NO3.C6H14N4O2.C6H13NO2.C5H9NO2.C3H7NO3.C2H5NO2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;7-4(5(11)12)2-1-3-10-6(8)9;1-4(2)3-5(7)6(8)9;7-5(8)4-2-1-3-6-4;4-2(1-5)3(6)7;3-1-2(4)5/h1-4,8,11H,5,10H2,(H,12,13);4H,1-3,7H2,(H,11,12)(H4,8,9,10);4-5H,3,7H2,1-2H3,(H,8,9);4,6H,1-3H2,(H,7,8);2,5H,1,4H2,(H,6,7);1,3H2,(H,4,5)/t;;;4-;;/m...0../s1.

What are the key properties of 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid?

2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 781.86 g/mol, XLogP of -3.51, 15 rotatable bonds, 16 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 175518486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).