bis(tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate);ethyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;ethyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;methane;methyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;(2R,3R)-3-(propan-2-ylamino)butan-2-ol;propan-2-yl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;propan-2-yl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate

C73H158N8O22 — CID 158674360

About bis(tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate);ethyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;ethyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;methane;methyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;(2R,3R)-3-(propan-2-ylamino)butan-2-ol;propan-2-yl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;propan-2-yl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate

bis(tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate);ethyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;ethyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;methane;methyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;(2R,3R)-3-(propan-2-ylamino)butan-2-ol;propan-2-yl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;propan-2-yl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate (PubChem CID 158674360) has the molecular formula C73H158N8O22 and a molecular weight of 1500.10 g/mol. Its IUPAC name is bis(tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate);ethyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;ethyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;methane;methyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;(2R,3R)-3-(propan-2-ylamino)butan-2-ol;propan-2-yl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;propan-2-yl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate.

Molecular Properties

• Compound Name: bis(tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate);ethyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;ethyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;methane;methyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;(2R,3R)-3-(propan-2-ylamino)butan-2-ol;propan-2-yl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;propan-2-yl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate
• PubChem CID: 158674360
• Molecular Formula: C73H158N8O22
• Molecular Weight: 1500.10 g/mol
• Exact Mass: 1499.15
• IUPAC Name: bis(tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate);ethyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;ethyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;methane;methyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;(2R,3R)-3-(propan-2-ylamino)butan-2-ol;propan-2-yl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;propan-2-yl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate
• SMILES: C.CC(C)N[C@@H](CO)C(=O)OC(C)C.CC(C)N[C@H](C(=O)OC(C)(C)C)[C@@H](C)O.CC(C)N[C@H](C(=O)OC(C)(C)C)[C@@H](C)O.CC(C)N[C@H](C(=O)OC(C)C)[C@@H](C)O.CC(C)N[C@H](C)[C@@H](C)O.CCOC(=O)[C@@H](NC(C)C)[C@@H](C)O.CCOC(=O)[C@H](CO)NC(C)C.COC(=O)[C@H](CO)NC(C)C
• InChI: InChI=1S/2C11H23NO3.C10H21NO3.2C9H19NO3.C8H17NO3.C7H15NO3.C7H17NO.CH4/c2*1-7(2)12-9(8(3)13)10(14)15-11(4,5)6;1-6(2)11-9(8(5)12)10(13)14-7(3)4;1-6(2)10-8(5-11)9(12)13-7(3)4;1-5-13-9(12)8(7(4)11)10-6(2)3;1-4-12-8(11)7(5-10)9-6(2)3;1-5(2)8-6(4-9)7(10)11-3;1-5(2)8-6(3)7(4)9;/h2*7-9,12-13H,1-6H3;6-9,11-12H,1-5H3;2*6-8,10-11H,5H2,1-4H3;6-7,9-10H,4-5H2,1-3H3;5-6,8-9H,4H2,1-3H3;5-9H,1-4H3;1H4/t3*8-,9+;8-;7-,8+;7-;6-;6-,7-;/m11101001./s1
• InChIKey: IEIHGQJXEPQLIW-SEFBRDARSA-N
• XLogP: 4.25
• TPSA: 442.18 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 30
• Rotatable Bonds: 35
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1500.10
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate);ethyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;ethyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;methane;methyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;(2R,3R)-3-(propan-2-ylamino)butan-2-ol;propan-2-yl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;propan-2-yl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate?

The IUPAC name of bis(tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate);ethyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;ethyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;methane;methyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;(2R,3R)-3-(propan-2-ylamino)butan-2-ol;propan-2-yl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;propan-2-yl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate (CID 158674360) is bis(tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate);ethyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;ethyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;methane;methyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;(2R,3R)-3-(propan-2-ylamino)butan-2-ol;propan-2-yl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;propan-2-yl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate.

What is the SMILES notation for bis(tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate);ethyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;ethyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;methane;methyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;(2R,3R)-3-(propan-2-ylamino)butan-2-ol;propan-2-yl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;propan-2-yl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate?

The canonical SMILES for bis(tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate);ethyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;ethyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;methane;methyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;(2R,3R)-3-(propan-2-ylamino)butan-2-ol;propan-2-yl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;propan-2-yl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate is C.CC(C)N[C@@H](CO)C(=O)OC(C)C.CC(C)N[C@H](C(=O)OC(C)(C)C)[C@@H](C)O.CC(C)N[C@H](C(=O)OC(C)(C)C)[C@@H](C)O.CC(C)N[C@H](C(=O)OC(C)C)[C@@H](C)O.CC(C)N[C@H](C)[C@@H](C)O.CCOC(=O)[C@@H](NC(C)C)[C@@H](C)O.CCOC(=O)[C@H](CO)NC(C)C.COC(=O)[C@H](CO)NC(C)C.

What is the InChIKey of bis(tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate);ethyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;ethyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;methane;methyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;(2R,3R)-3-(propan-2-ylamino)butan-2-ol;propan-2-yl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;propan-2-yl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate?

The InChIKey is IEIHGQJXEPQLIW-SEFBRDARSA-N. The full InChI is InChI=1S/2C11H23NO3.C10H21NO3.2C9H19NO3.C8H17NO3.C7H15NO3.C7H17NO.CH4/c2*1-7(2)12-9(8(3)13)10(14)15-11(4,5)6;1-6(2)11-9(8(5)12)10(13)14-7(3)4;1-6(2)10-8(5-11)9(12)13-7(3)4;1-5-13-9(12)8(7(4)11)10-6(2)3;1-4-12-8(11)7(5-10)9-6(2)3;1-5(2)8-6(4-9)7(10)11-3;1-5(2)8-6(3)7(4)9;/h2*7-9,12-13H,1-6H3;6-9,11-12H,1-5H3;2*6-8,10-11H,5H2,1-4H3;6-7,9-10H,4-5H2,1-3H3;5-6,8-9H,4H2,1-3H3;5-9H,1-4H3;1H4/t3*8-,9+;8-;7-,8+;7-;6-;6-,7-;/m11101001./s1.

What are the key properties of bis(tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate);ethyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;ethyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;methane;methyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;(2R,3R)-3-(propan-2-ylamino)butan-2-ol;propan-2-yl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;propan-2-yl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate?

bis(tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate);ethyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;ethyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;methane;methyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;(2R,3R)-3-(propan-2-ylamino)butan-2-ol;propan-2-yl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;propan-2-yl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate has a molecular weight of 1500.10 g/mol, XLogP of 4.25, 35 rotatable bonds, 16 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for bis(tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate);ethyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;ethyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;methane;methyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;(2R,3R)-3-(propan-2-ylamino)butan-2-ol;propan-2-yl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;propan-2-yl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 158674360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).