1-[(2-aminoacetyl)amino]propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;1-aminopropan-2-ol;1-(butanoylamino)propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxypropylamino]-4-oxobutanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;hydrochloride

C90H110Cl9N9O18 — CID 157207946

About 1-[(2-aminoacetyl)amino]propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;1-aminopropan-2-ol;1-(butanoylamino)propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxypropylamino]-4-oxobutanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;hydrochloride

1-[(2-aminoacetyl)amino]propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;1-aminopropan-2-ol;1-(butanoylamino)propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxypropylamino]-4-oxobutanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;hydrochloride (PubChem CID 157207946) has the molecular formula C90H110Cl9N9O18 and a molecular weight of 1924.99 g/mol. Its IUPAC name is 1-[(2-aminoacetyl)amino]propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;1-aminopropan-2-ol;1-(butanoylamino)propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxypropylamino]-4-oxobutanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;hydrochloride.

Molecular Properties

• Compound Name: 1-[(2-aminoacetyl)amino]propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;1-aminopropan-2-ol;1-(butanoylamino)propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxypropylamino]-4-oxobutanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;hydrochloride
• PubChem CID: 157207946
• Molecular Formula: C90H110Cl9N9O18
• Molecular Weight: 1924.99 g/mol
• Exact Mass: 1919.52
• IUPAC Name: 1-[(2-aminoacetyl)amino]propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;1-aminopropan-2-ol;1-(butanoylamino)propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxypropylamino]-4-oxobutanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;hydrochloride
• SMILES: CC(C)(C)OC(=O)CCC(=O)O.CC(CNC(=O)CCC(=O)OC(C)(C)C)OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.CC(CNC(=O)CN)OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.CC(O)CN.CCCC(=O)NCC(C)OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.Cl.O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl
• InChI: InChI=1S/C25H30Cl2N2O5.C21H24Cl2N2O3.C19H21Cl2N3O3.C14H11Cl2NO2.C8H14O4.C3H9NO.ClH/c1-16(15-28-21(30)12-13-22(31)34-25(2,3)4)33-23(32)14-17-8-5-6-11-20(17)29-24-18(26)9-7-10-19(24)27;1-3-7-19(26)24-13-14(2)28-20(27)12-15-8-4-5-11-18(15)25-21-16(22)9-6-10-17(21)23;1-12(11-23-17(25)10-22)27-18(26)9-13-5-2-3-8-16(13)24-19-14(20)6-4-7-15(19)21;15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;1-8(2,3)12-7(11)5-4-6(9)10;1-3(5)2-4;/h5-11,16,29H,12-15H2,1-4H3,(H,28,30);4-6,8-11,14,25H,3,7,12-13H2,1-2H3,(H,24,26);2-8,12,24H,9-11,22H2,1H3,(H,23,25);1-7,17H,8H2,(H,18,19);4-5H2,1-3H3,(H,9,10);3,5H,2,4H2,1H3;1H
• InChIKey: WWEXTSCIBXBISL-UHFFFAOYSA-N
• XLogP: 19.17
• TPSA: 413.79 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 22
• Rotatable Bonds: 35
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1924.99
LogP ≤ 5	19.17
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminoacetyl)amino]propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;1-aminopropan-2-ol;1-(butanoylamino)propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxypropylamino]-4-oxobutanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;hydrochloride?

The IUPAC name of 1-[(2-aminoacetyl)amino]propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;1-aminopropan-2-ol;1-(butanoylamino)propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxypropylamino]-4-oxobutanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;hydrochloride (CID 157207946) is 1-[(2-aminoacetyl)amino]propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;1-aminopropan-2-ol;1-(butanoylamino)propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxypropylamino]-4-oxobutanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;hydrochloride.

What is the SMILES notation for 1-[(2-aminoacetyl)amino]propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;1-aminopropan-2-ol;1-(butanoylamino)propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxypropylamino]-4-oxobutanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;hydrochloride?

The canonical SMILES for 1-[(2-aminoacetyl)amino]propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;1-aminopropan-2-ol;1-(butanoylamino)propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxypropylamino]-4-oxobutanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;hydrochloride is CC(C)(C)OC(=O)CCC(=O)O.CC(CNC(=O)CCC(=O)OC(C)(C)C)OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.CC(CNC(=O)CN)OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.CC(O)CN.CCCC(=O)NCC(C)OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.Cl.O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl.

What is the InChIKey of 1-[(2-aminoacetyl)amino]propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;1-aminopropan-2-ol;1-(butanoylamino)propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxypropylamino]-4-oxobutanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;hydrochloride?

The InChIKey is WWEXTSCIBXBISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30Cl2N2O5.C21H24Cl2N2O3.C19H21Cl2N3O3.C14H11Cl2NO2.C8H14O4.C3H9NO.ClH/c1-16(15-28-21(30)12-13-22(31)34-25(2,3)4)33-23(32)14-17-8-5-6-11-20(17)29-24-18(26)9-7-10-19(24)27;1-3-7-19(26)24-13-14(2)28-20(27)12-15-8-4-5-11-18(15)25-21-16(22)9-6-10-17(21)23;1-12(11-23-17(25)10-22)27-18(26)9-13-5-2-3-8-16(13)24-19-14(20)6-4-7-15(19)21;15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;1-8(2,3)12-7(11)5-4-6(9)10;1-3(5)2-4;/h5-11,16,29H,12-15H2,1-4H3,(H,28,30);4-6,8-11,14,25H,3,7,12-13H2,1-2H3,(H,24,26);2-8,12,24H,9-11,22H2,1H3,(H,23,25);1-7,17H,8H2,(H,18,19);4-5H2,1-3H3,(H,9,10);3,5H,2,4H2,1H3;1H.

What are the key properties of 1-[(2-aminoacetyl)amino]propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;1-aminopropan-2-ol;1-(butanoylamino)propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxypropylamino]-4-oxobutanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;hydrochloride?

1-[(2-aminoacetyl)amino]propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;1-aminopropan-2-ol;1-(butanoylamino)propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxypropylamino]-4-oxobutanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;hydrochloride has a molecular weight of 1924.99 g/mol, XLogP of 19.17, 35 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-aminoacetyl)amino]propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;1-aminopropan-2-ol;1-(butanoylamino)propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxypropylamino]-4-oxobutanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;hydrochloride is sourced from PubChem (CID 157207946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).