(2S)-2-[[(2S)-2-[[(2S,4R)-1-(2-carboxyacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-hydroxypropanoic acid;fermium

C14H21FmN3O9 — CID 58935318

About (2S)-2-[[(2S)-2-[[(2S,4R)-1-(2-carboxyacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-hydroxypropanoic acid;fermium

(2S)-2-[[(2S)-2-[[(2S,4R)-1-(2-carboxyacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-hydroxypropanoic acid;fermium (PubChem CID 58935318) has the molecular formula C14H21FmN3O9 and a molecular weight of 632.33 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-[[(2S,4R)-1-(2-carboxyacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-hydroxypropanoic acid;fermium.

Molecular Properties

• Compound Name: (2S)-2-[[(2S)-2-[[(2S,4R)-1-(2-carboxyacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-hydroxypropanoic acid;fermium
• PubChem CID: 58935318
• Molecular Formula: C14H21FmN3O9
• Molecular Weight: 632.33 g/mol
• Exact Mass: 632.22
• IUPAC Name: (2S)-2-[[(2S)-2-[[(2S,4R)-1-(2-carboxyacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-hydroxypropanoic acid;fermium
• SMILES: C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(=O)O)C(=O)N[C@@H](CO)C(=O)O.[Fm]
• InChI: InChI=1S/C14H21N3O9.Fm/c1-6(12(23)16-8(5-18)14(25)26)15-13(24)9-2-7(19)4-17(9)10(20)3-11(21)22;/h6-9,18-19H,2-5H2,1H3,(H,15,24)(H,16,23)(H,21,22)(H,25,26);/t6-,7+,8-,9-;/m0./s1
• InChIKey: MQLHBYJWZQXHOE-XQVZEVJTSA-N
• XLogP: -3.51
• TPSA: 193.57 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.33
LogP ≤ 5	-3.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-[[(2S,4R)-1-(2-carboxyacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-hydroxypropanoic acid;fermium?

The IUPAC name of (2S)-2-[[(2S)-2-[[(2S,4R)-1-(2-carboxyacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-hydroxypropanoic acid;fermium (CID 58935318) is (2S)-2-[[(2S)-2-[[(2S,4R)-1-(2-carboxyacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-hydroxypropanoic acid;fermium.

What is the SMILES notation for (2S)-2-[[(2S)-2-[[(2S,4R)-1-(2-carboxyacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-hydroxypropanoic acid;fermium?

The canonical SMILES for (2S)-2-[[(2S)-2-[[(2S,4R)-1-(2-carboxyacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-hydroxypropanoic acid;fermium is C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(=O)O)C(=O)N[C@@H](CO)C(=O)O.[Fm].

What is the InChIKey of (2S)-2-[[(2S)-2-[[(2S,4R)-1-(2-carboxyacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-hydroxypropanoic acid;fermium?

The InChIKey is MQLHBYJWZQXHOE-XQVZEVJTSA-N. The full InChI is InChI=1S/C14H21N3O9.Fm/c1-6(12(23)16-8(5-18)14(25)26)15-13(24)9-2-7(19)4-17(9)10(20)3-11(21)22;/h6-9,18-19H,2-5H2,1H3,(H,15,24)(H,16,23)(H,21,22)(H,25,26);/t6-,7+,8-,9-;/m0./s1.

What are the key properties of (2S)-2-[[(2S)-2-[[(2S,4R)-1-(2-carboxyacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-hydroxypropanoic acid;fermium?

(2S)-2-[[(2S)-2-[[(2S,4R)-1-(2-carboxyacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-hydroxypropanoic acid;fermium has a molecular weight of 632.33 g/mol, XLogP of -3.51, 8 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[(2S)-2-[[(2S,4R)-1-(2-carboxyacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-hydroxypropanoic acid;fermium is sourced from PubChem (CID 58935318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).