2-(2-aminoethoxy)acetic acid;bis(2,3,4,5,6-pentafluorophenyl) 4-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[3-oxo-4-(2,3,4,5,6-pentafluorophenyl)butyl]heptanedioate;2-[2-[[7-[2-(carboxymethoxy)ethylamino]-4-[3-[2-(carboxymethoxy)ethylamino]-3-oxopropyl]-4-(9H-fluoren-9-ylmethoxycarbonylamino)-7-oxoheptanoyl]amino]ethoxy]acetic acid

C85H83F15N6O24 — CID 158332516

About 2-(2-aminoethoxy)acetic acid;bis(2,3,4,5,6-pentafluorophenyl) 4-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[3-oxo-4-(2,3,4,5,6-pentafluorophenyl)butyl]heptanedioate;2-[2-[[7-[2-(carboxymethoxy)ethylamino]-4-[3-[2-(carboxymethoxy)ethylamino]-3-oxopropyl]-4-(9H-fluoren-9-ylmethoxycarbonylamino)-7-oxoheptanoyl]amino]ethoxy]acetic acid

2-(2-aminoethoxy)acetic acid;bis(2,3,4,5,6-pentafluorophenyl) 4-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[3-oxo-4-(2,3,4,5,6-pentafluorophenyl)butyl]heptanedioate;2-[2-[[7-[2-(carboxymethoxy)ethylamino]-4-[3-[2-(carboxymethoxy)ethylamino]-3-oxopropyl]-4-(9H-fluoren-9-ylmethoxycarbonylamino)-7-oxoheptanoyl]amino]ethoxy]acetic acid (PubChem CID 158332516) has the molecular formula C85H83F15N6O24 and a molecular weight of 1857.59 g/mol. Its IUPAC name is 2-(2-aminoethoxy)acetic acid;bis(2,3,4,5,6-pentafluorophenyl) 4-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[3-oxo-4-(2,3,4,5,6-pentafluorophenyl)butyl]heptanedioate;2-[2-[[7-[2-(carboxymethoxy)ethylamino]-4-[3-[2-(carboxymethoxy)ethylamino]-3-oxopropyl]-4-(9H-fluoren-9-ylmethoxycarbonylamino)-7-oxoheptanoyl]amino]ethoxy]acetic acid.

Molecular Properties

• Compound Name: 2-(2-aminoethoxy)acetic acid;bis(2,3,4,5,6-pentafluorophenyl) 4-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[3-oxo-4-(2,3,4,5,6-pentafluorophenyl)butyl]heptanedioate;2-[2-[[7-[2-(carboxymethoxy)ethylamino]-4-[3-[2-(carboxymethoxy)ethylamino]-3-oxopropyl]-4-(9H-fluoren-9-ylmethoxycarbonylamino)-7-oxoheptanoyl]amino]ethoxy]acetic acid
• PubChem CID: 158332516
• Molecular Formula: C85H83F15N6O24
• Molecular Weight: 1857.59 g/mol
• Exact Mass: 1856.52
• IUPAC Name: 2-(2-aminoethoxy)acetic acid;bis(2,3,4,5,6-pentafluorophenyl) 4-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[3-oxo-4-(2,3,4,5,6-pentafluorophenyl)butyl]heptanedioate;2-[2-[[7-[2-(carboxymethoxy)ethylamino]-4-[3-[2-(carboxymethoxy)ethylamino]-3-oxopropyl]-4-(9H-fluoren-9-ylmethoxycarbonylamino)-7-oxoheptanoyl]amino]ethoxy]acetic acid
• SMILES: NCCOCC(=O)O.O=C(CCC(CCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)(CCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)NC(=O)OCC1c2ccccc2-c2ccccc21)Cc1c(F)c(F)c(F)c(F)c1F.O=C(O)COCCNC(=O)CCC(CCC(=O)NCCOCC(=O)O)(CCC(=O)NCCOCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C44H26F15NO7.C37H48N4O14.C4H9NO3/c45-26-22(27(46)29(48)30(49)28(26)47)15-17(61)9-12-44(13-10-24(62)66-41-37(56)33(52)31(50)34(53)38(41)57,14-11-25(63)67-42-39(58)35(54)32(51)36(55)40(42)59)60-43(64)65-16-23-20-7-3-1-5-18(20)19-6-2-4-8-21(19)23;42-30(38-15-18-52-22-33(45)46)9-12-37(13-10-31(43)39-16-19-53-23-34(47)48,14-11-32(44)40-17-20-54-24-35(49)50)41-36(51)55-21-29-27-7-3-1-5-25(27)26-6-2-4-8-28(26)29;5-1-2-8-3-4(6)7/h1-8,23H,9-16H2,(H,60,64);1-8,29H,9-24H2,(H,38,42)(H,39,43)(H,40,44)(H,41,51)(H,45,46)(H,47,48)(H,49,50);1-3,5H2,(H,6,7)
• InChIKey: GQEKBXOKCDJVNZ-UHFFFAOYSA-N
• XLogP: 11.02
• TPSA: 445.77 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 21
• Rotatable Bonds: 47
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1857.59
LogP ≤ 5	11.02
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)acetic acid;bis(2,3,4,5,6-pentafluorophenyl) 4-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[3-oxo-4-(2,3,4,5,6-pentafluorophenyl)butyl]heptanedioate;2-[2-[[7-[2-(carboxymethoxy)ethylamino]-4-[3-[2-(carboxymethoxy)ethylamino]-3-oxopropyl]-4-(9H-fluoren-9-ylmethoxycarbonylamino)-7-oxoheptanoyl]amino]ethoxy]acetic acid?

The IUPAC name of 2-(2-aminoethoxy)acetic acid;bis(2,3,4,5,6-pentafluorophenyl) 4-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[3-oxo-4-(2,3,4,5,6-pentafluorophenyl)butyl]heptanedioate;2-[2-[[7-[2-(carboxymethoxy)ethylamino]-4-[3-[2-(carboxymethoxy)ethylamino]-3-oxopropyl]-4-(9H-fluoren-9-ylmethoxycarbonylamino)-7-oxoheptanoyl]amino]ethoxy]acetic acid (CID 158332516) is 2-(2-aminoethoxy)acetic acid;bis(2,3,4,5,6-pentafluorophenyl) 4-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[3-oxo-4-(2,3,4,5,6-pentafluorophenyl)butyl]heptanedioate;2-[2-[[7-[2-(carboxymethoxy)ethylamino]-4-[3-[2-(carboxymethoxy)ethylamino]-3-oxopropyl]-4-(9H-fluoren-9-ylmethoxycarbonylamino)-7-oxoheptanoyl]amino]ethoxy]acetic acid.

What is the SMILES notation for 2-(2-aminoethoxy)acetic acid;bis(2,3,4,5,6-pentafluorophenyl) 4-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[3-oxo-4-(2,3,4,5,6-pentafluorophenyl)butyl]heptanedioate;2-[2-[[7-[2-(carboxymethoxy)ethylamino]-4-[3-[2-(carboxymethoxy)ethylamino]-3-oxopropyl]-4-(9H-fluoren-9-ylmethoxycarbonylamino)-7-oxoheptanoyl]amino]ethoxy]acetic acid?

The canonical SMILES for 2-(2-aminoethoxy)acetic acid;bis(2,3,4,5,6-pentafluorophenyl) 4-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[3-oxo-4-(2,3,4,5,6-pentafluorophenyl)butyl]heptanedioate;2-[2-[[7-[2-(carboxymethoxy)ethylamino]-4-[3-[2-(carboxymethoxy)ethylamino]-3-oxopropyl]-4-(9H-fluoren-9-ylmethoxycarbonylamino)-7-oxoheptanoyl]amino]ethoxy]acetic acid is NCCOCC(=O)O.O=C(CCC(CCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)(CCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)NC(=O)OCC1c2ccccc2-c2ccccc21)Cc1c(F)c(F)c(F)c(F)c1F.O=C(O)COCCNC(=O)CCC(CCC(=O)NCCOCC(=O)O)(CCC(=O)NCCOCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of 2-(2-aminoethoxy)acetic acid;bis(2,3,4,5,6-pentafluorophenyl) 4-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[3-oxo-4-(2,3,4,5,6-pentafluorophenyl)butyl]heptanedioate;2-[2-[[7-[2-(carboxymethoxy)ethylamino]-4-[3-[2-(carboxymethoxy)ethylamino]-3-oxopropyl]-4-(9H-fluoren-9-ylmethoxycarbonylamino)-7-oxoheptanoyl]amino]ethoxy]acetic acid?

The InChIKey is GQEKBXOKCDJVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26F15NO7.C37H48N4O14.C4H9NO3/c45-26-22(27(46)29(48)30(49)28(26)47)15-17(61)9-12-44(13-10-24(62)66-41-37(56)33(52)31(50)34(53)38(41)57,14-11-25(63)67-42-39(58)35(54)32(51)36(55)40(42)59)60-43(64)65-16-23-20-7-3-1-5-18(20)19-6-2-4-8-21(19)23;42-30(38-15-18-52-22-33(45)46)9-12-37(13-10-31(43)39-16-19-53-23-34(47)48,14-11-32(44)40-17-20-54-24-35(49)50)41-36(51)55-21-29-27-7-3-1-5-25(27)26-6-2-4-8-28(26)29;5-1-2-8-3-4(6)7/h1-8,23H,9-16H2,(H,60,64);1-8,29H,9-24H2,(H,38,42)(H,39,43)(H,40,44)(H,41,51)(H,45,46)(H,47,48)(H,49,50);1-3,5H2,(H,6,7).

What are the key properties of 2-(2-aminoethoxy)acetic acid;bis(2,3,4,5,6-pentafluorophenyl) 4-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[3-oxo-4-(2,3,4,5,6-pentafluorophenyl)butyl]heptanedioate;2-[2-[[7-[2-(carboxymethoxy)ethylamino]-4-[3-[2-(carboxymethoxy)ethylamino]-3-oxopropyl]-4-(9H-fluoren-9-ylmethoxycarbonylamino)-7-oxoheptanoyl]amino]ethoxy]acetic acid?

2-(2-aminoethoxy)acetic acid;bis(2,3,4,5,6-pentafluorophenyl) 4-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[3-oxo-4-(2,3,4,5,6-pentafluorophenyl)butyl]heptanedioate;2-[2-[[7-[2-(carboxymethoxy)ethylamino]-4-[3-[2-(carboxymethoxy)ethylamino]-3-oxopropyl]-4-(9H-fluoren-9-ylmethoxycarbonylamino)-7-oxoheptanoyl]amino]ethoxy]acetic acid has a molecular weight of 1857.59 g/mol, XLogP of 11.02, 47 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-aminoethoxy)acetic acid;bis(2,3,4,5,6-pentafluorophenyl) 4-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[3-oxo-4-(2,3,4,5,6-pentafluorophenyl)butyl]heptanedioate;2-[2-[[7-[2-(carboxymethoxy)ethylamino]-4-[3-[2-(carboxymethoxy)ethylamino]-3-oxopropyl]-4-(9H-fluoren-9-ylmethoxycarbonylamino)-7-oxoheptanoyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 158332516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).