(2S)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxypropanoic acid;(2S)-2-aminopropanoic acid;[(2S)-2-aminopropanoyl] (2S)-2-amino-3-methylbutanoate;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid

C31H64N8O13 — CID 173390225

About (2S)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxypropanoic acid;(2S)-2-aminopropanoic acid;[(2S)-2-aminopropanoyl] (2S)-2-amino-3-methylbutanoate;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid

(2S)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxypropanoic acid;(2S)-2-aminopropanoic acid;[(2S)-2-aminopropanoyl] (2S)-2-amino-3-methylbutanoate;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 173390225) has the molecular formula C31H64N8O13 and a molecular weight of 756.90 g/mol. Its IUPAC name is (2S)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxypropanoic acid;(2S)-2-aminopropanoic acid;[(2S)-2-aminopropanoyl] (2S)-2-amino-3-methylbutanoate;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: (2S)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxypropanoic acid;(2S)-2-aminopropanoic acid;[(2S)-2-aminopropanoyl] (2S)-2-amino-3-methylbutanoate;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid
• PubChem CID: 173390225
• Molecular Formula: C31H64N8O13
• Molecular Weight: 756.90 g/mol
• Exact Mass: 756.46
• IUPAC Name: (2S)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxypropanoic acid;(2S)-2-aminopropanoic acid;[(2S)-2-aminopropanoyl] (2S)-2-amino-3-methylbutanoate;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid
• SMILES: CC(C)C[C@H](N)C(=O)OC[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)OC(=O)[C@H](C)N.C[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O.O=C(O)[C@@H]1CCCN1
• InChI: InChI=1S/C9H18N2O4.C8H16N2O3.C6H14N2O2.C5H9NO2.C3H7NO2/c1-5(2)3-6(10)9(14)15-4-7(11)8(12)13;1-4(2)6(10)8(12)13-7(11)5(3)9;7-4-2-1-3-5(8)6(9)10;7-5(8)4-2-1-3-6-4;1-2(4)3(5)6/h5-7H,3-4,10-11H2,1-2H3,(H,12,13);4-6H,9-10H2,1-3H3;5H,1-4,7-8H2,(H,9,10);4,6H,1-3H2,(H,7,8);2H,4H2,1H3,(H,5,6)/t6-,7-;5-,6-;5-;4-;2-/m00000/s1
• InChIKey: BIHVYYUTMLDRLA-MCXFLIBPSA-N
• XLogP: -2.53
• TPSA: 413.04 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	756.90
LogP ≤ 5	-2.53
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxypropanoic acid;(2S)-2-aminopropanoic acid;[(2S)-2-aminopropanoyl] (2S)-2-amino-3-methylbutanoate;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid?

The IUPAC name of (2S)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxypropanoic acid;(2S)-2-aminopropanoic acid;[(2S)-2-aminopropanoyl] (2S)-2-amino-3-methylbutanoate;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid (CID 173390225) is (2S)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxypropanoic acid;(2S)-2-aminopropanoic acid;[(2S)-2-aminopropanoyl] (2S)-2-amino-3-methylbutanoate;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid.

What is the SMILES notation for (2S)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxypropanoic acid;(2S)-2-aminopropanoic acid;[(2S)-2-aminopropanoyl] (2S)-2-amino-3-methylbutanoate;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid?

The canonical SMILES for (2S)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxypropanoic acid;(2S)-2-aminopropanoic acid;[(2S)-2-aminopropanoyl] (2S)-2-amino-3-methylbutanoate;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid is CC(C)C[C@H](N)C(=O)OC[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)OC(=O)[C@H](C)N.C[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O.O=C(O)[C@@H]1CCCN1.

What is the InChIKey of (2S)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxypropanoic acid;(2S)-2-aminopropanoic acid;[(2S)-2-aminopropanoyl] (2S)-2-amino-3-methylbutanoate;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid?

The InChIKey is BIHVYYUTMLDRLA-MCXFLIBPSA-N. The full InChI is InChI=1S/C9H18N2O4.C8H16N2O3.C6H14N2O2.C5H9NO2.C3H7NO2/c1-5(2)3-6(10)9(14)15-4-7(11)8(12)13;1-4(2)6(10)8(12)13-7(11)5(3)9;7-4-2-1-3-5(8)6(9)10;7-5(8)4-2-1-3-6-4;1-2(4)3(5)6/h5-7H,3-4,10-11H2,1-2H3,(H,12,13);4-6H,9-10H2,1-3H3;5H,1-4,7-8H2,(H,9,10);4,6H,1-3H2,(H,7,8);2H,4H2,1H3,(H,5,6)/t6-,7-;5-,6-;5-;4-;2-/m00000/s1.

What are the key properties of (2S)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxypropanoic acid;(2S)-2-aminopropanoic acid;[(2S)-2-aminopropanoyl] (2S)-2-amino-3-methylbutanoate;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid?

(2S)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxypropanoic acid;(2S)-2-aminopropanoic acid;[(2S)-2-aminopropanoyl] (2S)-2-amino-3-methylbutanoate;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 756.90 g/mol, XLogP of -2.53, 16 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxypropanoic acid;(2S)-2-aminopropanoic acid;[(2S)-2-aminopropanoyl] (2S)-2-amino-3-methylbutanoate;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 173390225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).