(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-pyrrolidine-2-carboxylic acid)

C19H38N4O9 — CID 70209240

About (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-pyrrolidine-2-carboxylic acid)

(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-pyrrolidine-2-carboxylic acid) (PubChem CID 70209240) has the molecular formula C19H38N4O9 and a molecular weight of 466.53 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-pyrrolidine-2-carboxylic acid).

Molecular Properties

• Compound Name: (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-pyrrolidine-2-carboxylic acid)
• PubChem CID: 70209240
• Molecular Formula: C19H38N4O9
• Molecular Weight: 466.53 g/mol
• Exact Mass: 466.26
• IUPAC Name: (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-pyrrolidine-2-carboxylic acid)
• SMILES: CC(C)C[C@H](N)C(=O)O.N[C@@H](CO)C(=O)O.O=C(O)[C@@H]1CCCN1.O=C(O)[C@@H]1CCCN1
• InChI: InChI=1S/C6H13NO2.2C5H9NO2.C3H7NO3/c1-4(2)3-5(7)6(8)9;2*7-5(8)4-2-1-3-6-4;4-2(1-5)3(6)7/h4-5H,3,7H2,1-2H3,(H,8,9);2*4,6H,1-3H2,(H,7,8);2,5H,1,4H2,(H,6,7)/t5-;2*4-;2-/m0000/s1
• InChIKey: CDOFVPDATMXELD-WTLDECTNSA-N
• XLogP: -1.52
• TPSA: 245.53 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.53
LogP ≤ 5	-1.52
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-pyrrolidine-2-carboxylic acid)?

The IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-pyrrolidine-2-carboxylic acid) (CID 70209240) is (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-pyrrolidine-2-carboxylic acid).

What is the SMILES notation for (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-pyrrolidine-2-carboxylic acid)?

The canonical SMILES for (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-pyrrolidine-2-carboxylic acid) is CC(C)C[C@H](N)C(=O)O.N[C@@H](CO)C(=O)O.O=C(O)[C@@H]1CCCN1.O=C(O)[C@@H]1CCCN1.

What is the InChIKey of (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-pyrrolidine-2-carboxylic acid)?

The InChIKey is CDOFVPDATMXELD-WTLDECTNSA-N. The full InChI is InChI=1S/C6H13NO2.2C5H9NO2.C3H7NO3/c1-4(2)3-5(7)6(8)9;2*7-5(8)4-2-1-3-6-4;4-2(1-5)3(6)7/h4-5H,3,7H2,1-2H3,(H,8,9);2*4,6H,1-3H2,(H,7,8);2,5H,1,4H2,(H,6,7)/t5-;2*4-;2-/m0000/s1.

What are the key properties of (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-pyrrolidine-2-carboxylic acid)?

(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-pyrrolidine-2-carboxylic acid) has a molecular weight of 466.53 g/mol, XLogP of -1.52, 7 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-pyrrolidine-2-carboxylic acid) is sourced from PubChem (CID 70209240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).