sodium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylpyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-azidopyrrolidine-2-carboxylate;methyl (2S,4S)-4-azido-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate;methyl (2S,4S)-4-azidopyrrolidine-2-carboxylate;naphthalene-2-carbonyl chloride;azide;trihydrochloride

C100H161Cl4N24NaO28 — CID 158083624

About sodium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylpyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-azidopyrrolidine-2-carboxylate;methyl (2S,4S)-4-azido-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate;methyl (2S,4S)-4-azidopyrrolidine-2-carboxylate;naphthalene-2-carbonyl chloride;azide;trihydrochloride

sodium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylpyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-azidopyrrolidine-2-carboxylate;methyl (2S,4S)-4-azido-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate;methyl (2S,4S)-4-azidopyrrolidine-2-carboxylate;naphthalene-2-carbonyl chloride;azide;trihydrochloride (PubChem CID 158083624) has the molecular formula C100H161Cl4N24NaO28 and a molecular weight of 2312.33 g/mol. Its IUPAC name is sodium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylpyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-azidopyrrolidine-2-carboxylate;methyl (2S,4S)-4-azido-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate;methyl (2S,4S)-4-azidopyrrolidine-2-carboxylate;naphthalene-2-carbonyl chloride;azide;trihydrochloride.

Molecular Properties

• Compound Name: sodium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylpyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-azidopyrrolidine-2-carboxylate;methyl (2S,4S)-4-azido-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate;methyl (2S,4S)-4-azidopyrrolidine-2-carboxylate;naphthalene-2-carbonyl chloride;azide;trihydrochloride
• PubChem CID: 158083624
• Molecular Formula: C100H161Cl4N24NaO28
• Molecular Weight: 2312.33 g/mol
• Exact Mass: 2309.06
• IUPAC Name: sodium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylpyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-azidopyrrolidine-2-carboxylate;methyl (2S,4S)-4-azido-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate;methyl (2S,4S)-4-azidopyrrolidine-2-carboxylate;naphthalene-2-carbonyl chloride;azide;trihydrochloride
• SMILES: CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)O.COC(=O)[C@@H]1C[C@@H](C)CN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CN1.COC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)[C@H](N)CC1CCCCC1.Cl.Cl.Cl.O=C(Cl)c1ccc2ccccc2c1.[N-]=[N+]=[N-].[Na+]
• InChI: InChI=1S/C20H33N5O5.C15H25N5O3.C14H25NO4.C12H21NO4.C11H7ClO.C11H18N4O4.C11H19NO5.C6H10N4O2.3ClH.N3.Na/c1-20(2,3)30-19(28)22-15(10-13-8-6-5-7-9-13)17(26)25-12-14(23-24-21)11-16(25)18(27)29-4;1-23-15(22)13-8-11(18-19-17)9-20(13)14(21)12(16)7-10-5-3-2-4-6-10;1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10;1-8-6-9(10(14)16-5)13(7-8)11(15)17-12(2,3)4;12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;1-11(2,3)19-10(17)15-6-7(13-14-12)5-8(15)9(16)18-4;1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4;1-12-6(11)5-2-4(3-8-5)9-10-7;;;;1-3-2;/h13-16H,5-12H2,1-4H3,(H,22,28);10-13H,2-9,16H2,1H3;10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17);8-9H,6-7H2,1-5H3;1-7H;7-8H,5-6H2,1-4H3;7-8,13H,5-6H2,1-4H3;4-5,8H,2-3H2,1H3;3*1H;;/q;;;;;;;;;;;-1;+1/t14-,15+,16-;11-,12+,13-;11-;8-,9+;;7-,8-;7-,8+;4-,5-;;;;;/m0011.010...../s1
• InChIKey: GDCVPKKOMGIXKI-IFFPEVRASA-N
• XLogP: 14.71
• TPSA: 730.09 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 22
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2312.33
LogP ≤ 5	14.71
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylpyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-azidopyrrolidine-2-carboxylate;methyl (2S,4S)-4-azido-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate;methyl (2S,4S)-4-azidopyrrolidine-2-carboxylate;naphthalene-2-carbonyl chloride;azide;trihydrochloride?

The IUPAC name of sodium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylpyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-azidopyrrolidine-2-carboxylate;methyl (2S,4S)-4-azido-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate;methyl (2S,4S)-4-azidopyrrolidine-2-carboxylate;naphthalene-2-carbonyl chloride;azide;trihydrochloride (CID 158083624) is sodium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylpyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-azidopyrrolidine-2-carboxylate;methyl (2S,4S)-4-azido-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate;methyl (2S,4S)-4-azidopyrrolidine-2-carboxylate;naphthalene-2-carbonyl chloride;azide;trihydrochloride.

What is the SMILES notation for sodium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylpyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-azidopyrrolidine-2-carboxylate;methyl (2S,4S)-4-azido-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate;methyl (2S,4S)-4-azidopyrrolidine-2-carboxylate;naphthalene-2-carbonyl chloride;azide;trihydrochloride?

The canonical SMILES for sodium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylpyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-azidopyrrolidine-2-carboxylate;methyl (2S,4S)-4-azido-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate;methyl (2S,4S)-4-azidopyrrolidine-2-carboxylate;naphthalene-2-carbonyl chloride;azide;trihydrochloride is CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)O.COC(=O)[C@@H]1C[C@@H](C)CN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CN1.COC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)[C@H](N)CC1CCCCC1.Cl.Cl.Cl.O=C(Cl)c1ccc2ccccc2c1.[N-]=[N+]=[N-].[Na+].

What is the InChIKey of sodium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylpyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-azidopyrrolidine-2-carboxylate;methyl (2S,4S)-4-azido-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate;methyl (2S,4S)-4-azidopyrrolidine-2-carboxylate;naphthalene-2-carbonyl chloride;azide;trihydrochloride?

The InChIKey is GDCVPKKOMGIXKI-IFFPEVRASA-N. The full InChI is InChI=1S/C20H33N5O5.C15H25N5O3.C14H25NO4.C12H21NO4.C11H7ClO.C11H18N4O4.C11H19NO5.C6H10N4O2.3ClH.N3.Na/c1-20(2,3)30-19(28)22-15(10-13-8-6-5-7-9-13)17(26)25-12-14(23-24-21)11-16(25)18(27)29-4;1-23-15(22)13-8-11(18-19-17)9-20(13)14(21)12(16)7-10-5-3-2-4-6-10;1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10;1-8-6-9(10(14)16-5)13(7-8)11(15)17-12(2,3)4;12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;1-11(2,3)19-10(17)15-6-7(13-14-12)5-8(15)9(16)18-4;1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4;1-12-6(11)5-2-4(3-8-5)9-10-7;;;;1-3-2;/h13-16H,5-12H2,1-4H3,(H,22,28);10-13H,2-9,16H2,1H3;10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17);8-9H,6-7H2,1-5H3;1-7H;7-8H,5-6H2,1-4H3;7-8,13H,5-6H2,1-4H3;4-5,8H,2-3H2,1H3;3*1H;;/q;;;;;;;;;;;-1;+1/t14-,15+,16-;11-,12+,13-;11-;8-,9+;;7-,8-;7-,8+;4-,5-;;;;;/m0011.010...../s1.

What are the key properties of sodium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylpyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-azidopyrrolidine-2-carboxylate;methyl (2S,4S)-4-azido-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate;methyl (2S,4S)-4-azidopyrrolidine-2-carboxylate;naphthalene-2-carbonyl chloride;azide;trihydrochloride?

sodium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylpyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-azidopyrrolidine-2-carboxylate;methyl (2S,4S)-4-azido-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate;methyl (2S,4S)-4-azidopyrrolidine-2-carboxylate;naphthalene-2-carbonyl chloride;azide;trihydrochloride has a molecular weight of 2312.33 g/mol, XLogP of 14.71, 22 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylpyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-azidopyrrolidine-2-carboxylate;methyl (2S,4S)-4-azido-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate;methyl (2S,4S)-4-azidopyrrolidine-2-carboxylate;naphthalene-2-carbonyl chloride;azide;trihydrochloride is sourced from PubChem (CID 158083624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).