(2R)-butan-2-amine;(2,5-dioxopyrrolidin-1-yl) 4-[4-[4-[7-(9H-fluoren-2-yl)-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butylamino]-4-oxobutanoate;ethane;methane;2-methylbutane;N-methylthiohydroxylamine;propane

C121H214N4O30S — CID 159451588

About (2R)-butan-2-amine;(2,5-dioxopyrrolidin-1-yl) 4-[4-[4-[7-(9H-fluoren-2-yl)-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butylamino]-4-oxobutanoate;ethane;methane;2-methylbutane;N-methylthiohydroxylamine;propane

(2R)-butan-2-amine;(2,5-dioxopyrrolidin-1-yl) 4-[4-[4-[7-(9H-fluoren-2-yl)-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butylamino]-4-oxobutanoate;ethane;methane;2-methylbutane;N-methylthiohydroxylamine;propane (PubChem CID 159451588) has the molecular formula C121H214N4O30S and a molecular weight of 2237.11 g/mol. Its IUPAC name is (2R)-butan-2-amine;(2,5-dioxopyrrolidin-1-yl) 4-[4-[4-[7-(9H-fluoren-2-yl)-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butylamino]-4-oxobutanoate;ethane;methane;2-methylbutane;N-methylthiohydroxylamine;propane.

Molecular Properties

• Compound Name: (2R)-butan-2-amine;(2,5-dioxopyrrolidin-1-yl) 4-[4-[4-[7-(9H-fluoren-2-yl)-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butylamino]-4-oxobutanoate;ethane;methane;2-methylbutane;N-methylthiohydroxylamine;propane
• PubChem CID: 159451588
• Molecular Formula: C121H214N4O30S
• Molecular Weight: 2237.11 g/mol
• Exact Mass: 2235.51
• IUPAC Name: (2R)-butan-2-amine;(2,5-dioxopyrrolidin-1-yl) 4-[4-[4-[7-(9H-fluoren-2-yl)-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butylamino]-4-oxobutanoate;ethane;methane;2-methylbutane;N-methylthiohydroxylamine;propane
• SMILES: C.CC.CC.CC.CC.CCC.CCC.CCC(C)C.CC[C@@H](C)N.CNS.COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCC1(CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c2cc(-c3ccc(OCCCCNC(=O)CCC(=O)ON4C(=O)CCC4=O)cc3)ccc2-c2ccc(-c3ccc4c(c3)Cc3ccccc3-4)cc21
• InChI: InChI=1S/C96H142N2O30.C5H12.C4H11N.2C3H8.4C2H6.CH5NS.CH4/c1-103-31-33-107-39-41-111-47-49-115-55-57-119-63-65-123-71-73-125-69-67-121-61-59-117-53-51-113-45-43-109-37-35-105-28-7-25-96(26-8-29-106-36-38-110-44-46-114-52-54-118-60-62-122-68-70-126-74-72-124-66-64-120-58-56-116-50-48-112-42-40-108-34-32-104-2)90-77-81(14-19-88(90)89-20-15-82(78-91(89)96)80-13-18-87-84(75-80)76-83-9-3-4-10-86(83)87)79-11-16-85(17-12-79)127-30-6-5-27-97-92(99)21-24-95(102)128-98-93(100)22-23-94(98)101;1-4-5(2)3;1-3-4(2)5;2*1-3-2;4*1-2;1-2-3;/h3-4,9-20,75,77-78H,5-8,21-74,76H2,1-2H3,(H,97,99);5H,4H2,1-3H3;4H,3,5H2,1-2H3;2*3H2,1-2H3;4*1-2H3;2-3H,1H3;1H4/t;;4-;;;;;;;;/m..1......../s1
• InChIKey: LTLHEZIXCBODJC-JWOCLMJCSA-N
• XLogP: 20.16
• TPSA: 361.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 88
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2237.11
LogP ≤ 5	20.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-butan-2-amine;(2,5-dioxopyrrolidin-1-yl) 4-[4-[4-[7-(9H-fluoren-2-yl)-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butylamino]-4-oxobutanoate;ethane;methane;2-methylbutane;N-methylthiohydroxylamine;propane?

The IUPAC name of (2R)-butan-2-amine;(2,5-dioxopyrrolidin-1-yl) 4-[4-[4-[7-(9H-fluoren-2-yl)-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butylamino]-4-oxobutanoate;ethane;methane;2-methylbutane;N-methylthiohydroxylamine;propane (CID 159451588) is (2R)-butan-2-amine;(2,5-dioxopyrrolidin-1-yl) 4-[4-[4-[7-(9H-fluoren-2-yl)-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butylamino]-4-oxobutanoate;ethane;methane;2-methylbutane;N-methylthiohydroxylamine;propane.

What is the SMILES notation for (2R)-butan-2-amine;(2,5-dioxopyrrolidin-1-yl) 4-[4-[4-[7-(9H-fluoren-2-yl)-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butylamino]-4-oxobutanoate;ethane;methane;2-methylbutane;N-methylthiohydroxylamine;propane?

The canonical SMILES for (2R)-butan-2-amine;(2,5-dioxopyrrolidin-1-yl) 4-[4-[4-[7-(9H-fluoren-2-yl)-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butylamino]-4-oxobutanoate;ethane;methane;2-methylbutane;N-methylthiohydroxylamine;propane is C.CC.CC.CC.CC.CCC.CCC.CCC(C)C.CC[C@@H](C)N.CNS.COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCC1(CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c2cc(-c3ccc(OCCCCNC(=O)CCC(=O)ON4C(=O)CCC4=O)cc3)ccc2-c2ccc(-c3ccc4c(c3)Cc3ccccc3-4)cc21.

What is the InChIKey of (2R)-butan-2-amine;(2,5-dioxopyrrolidin-1-yl) 4-[4-[4-[7-(9H-fluoren-2-yl)-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butylamino]-4-oxobutanoate;ethane;methane;2-methylbutane;N-methylthiohydroxylamine;propane?

The InChIKey is LTLHEZIXCBODJC-JWOCLMJCSA-N. The full InChI is InChI=1S/C96H142N2O30.C5H12.C4H11N.2C3H8.4C2H6.CH5NS.CH4/c1-103-31-33-107-39-41-111-47-49-115-55-57-119-63-65-123-71-73-125-69-67-121-61-59-117-53-51-113-45-43-109-37-35-105-28-7-25-96(26-8-29-106-36-38-110-44-46-114-52-54-118-60-62-122-68-70-126-74-72-124-66-64-120-58-56-116-50-48-112-42-40-108-34-32-104-2)90-77-81(14-19-88(90)89-20-15-82(78-91(89)96)80-13-18-87-84(75-80)76-83-9-3-4-10-86(83)87)79-11-16-85(17-12-79)127-30-6-5-27-97-92(99)21-24-95(102)128-98-93(100)22-23-94(98)101;1-4-5(2)3;1-3-4(2)5;2*1-3-2;4*1-2;1-2-3;/h3-4,9-20,75,77-78H,5-8,21-74,76H2,1-2H3,(H,97,99);5H,4H2,1-3H3;4H,3,5H2,1-2H3;2*3H2,1-2H3;4*1-2H3;2-3H,1H3;1H4/t;;4-;;;;;;;;/m..1......../s1.

What are the key properties of (2R)-butan-2-amine;(2,5-dioxopyrrolidin-1-yl) 4-[4-[4-[7-(9H-fluoren-2-yl)-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butylamino]-4-oxobutanoate;ethane;methane;2-methylbutane;N-methylthiohydroxylamine;propane?

(2R)-butan-2-amine;(2,5-dioxopyrrolidin-1-yl) 4-[4-[4-[7-(9H-fluoren-2-yl)-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butylamino]-4-oxobutanoate;ethane;methane;2-methylbutane;N-methylthiohydroxylamine;propane has a molecular weight of 2237.11 g/mol, XLogP of 20.16, 88 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-butan-2-amine;(2,5-dioxopyrrolidin-1-yl) 4-[4-[4-[7-(9H-fluoren-2-yl)-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butylamino]-4-oxobutanoate;ethane;methane;2-methylbutane;N-methylthiohydroxylamine;propane is sourced from PubChem (CID 159451588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).