(2S)-1-[(2S)-2-[[(2S)-1-(carboxymethyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

C15H23N3O6 — CID 13343615

About (2S)-1-[(2S)-2-[[(2S)-1-(carboxymethyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2S)-2-[[(2S)-1-(carboxymethyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 13343615) has the molecular formula C15H23N3O6 and a molecular weight of 341.36 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-[[(2S)-1-(carboxymethyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: (2S)-1-[(2S)-2-[[(2S)-1-(carboxymethyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
• PubChem CID: 13343615
• Molecular Formula: C15H23N3O6
• Molecular Weight: 341.36 g/mol
• Exact Mass: 341.16
• IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-1-(carboxymethyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
• SMILES: C[C@H](NC(=O)[C@@H]1CCCN1CC(=O)O)C(=O)N1CCC[C@H]1C(=O)O
• InChI: InChI=1S/C15H23N3O6/c1-9(14(22)18-7-3-5-11(18)15(23)24)16-13(21)10-4-2-6-17(10)8-12(19)20/h9-11H,2-8H2,1H3,(H,16,21)(H,19,20)(H,23,24)/t9-,10-,11-/m0/s1
• InChIKey: JNAHBOBXWRUPRL-DCAQKATOSA-N
• XLogP: -0.88
• TPSA: 127.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.36
LogP ≤ 5	-0.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-[[(2S)-1-(carboxymethyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid?

The IUPAC name of (2S)-1-[(2S)-2-[[(2S)-1-(carboxymethyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid (CID 13343615) is (2S)-1-[(2S)-2-[[(2S)-1-(carboxymethyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid.

What is the SMILES notation for (2S)-1-[(2S)-2-[[(2S)-1-(carboxymethyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid?

The canonical SMILES for (2S)-1-[(2S)-2-[[(2S)-1-(carboxymethyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid is C[C@H](NC(=O)[C@@H]1CCCN1CC(=O)O)C(=O)N1CCC[C@H]1C(=O)O.

What is the InChIKey of (2S)-1-[(2S)-2-[[(2S)-1-(carboxymethyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid?

The InChIKey is JNAHBOBXWRUPRL-DCAQKATOSA-N. The full InChI is InChI=1S/C15H23N3O6/c1-9(14(22)18-7-3-5-11(18)15(23)24)16-13(21)10-4-2-6-17(10)8-12(19)20/h9-11H,2-8H2,1H3,(H,16,21)(H,19,20)(H,23,24)/t9-,10-,11-/m0/s1.

What are the key properties of (2S)-1-[(2S)-2-[[(2S)-1-(carboxymethyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid?

(2S)-1-[(2S)-2-[[(2S)-1-(carboxymethyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 341.36 g/mol, XLogP of -0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[(2S)-2-[[(2S)-1-(carboxymethyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 13343615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).