(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1-O-tert-butyl 18-O-(2,5-dioxopyrrolidin-1-yl) octadecanedioate;N,N-dimethyl-1,1-bis[(2-methylpropan-2-yl)oxy]methanamine;1-hydroxypyrrolidine-2,5-dione;(4R)-23-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,23-dioxotricosanoic acid;18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoic acid;octadecanedioic acid

C134H252N8O35 — CID 157285567

About (4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1-O-tert-butyl 18-O-(2,5-dioxopyrrolidin-1-yl) octadecanedioate;N,N-dimethyl-1,1-bis[(2-methylpropan-2-yl)oxy]methanamine;1-hydroxypyrrolidine-2,5-dione;(4R)-23-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,23-dioxotricosanoic acid;18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoic acid;octadecanedioic acid

(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1-O-tert-butyl 18-O-(2,5-dioxopyrrolidin-1-yl) octadecanedioate;N,N-dimethyl-1,1-bis[(2-methylpropan-2-yl)oxy]methanamine;1-hydroxypyrrolidine-2,5-dione;(4R)-23-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,23-dioxotricosanoic acid;18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoic acid;octadecanedioic acid (PubChem CID 157285567) has the molecular formula C134H252N8O35 and a molecular weight of 2535.51 g/mol. Its IUPAC name is (4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1-O-tert-butyl 18-O-(2,5-dioxopyrrolidin-1-yl) octadecanedioate;N,N-dimethyl-1,1-bis[(2-methylpropan-2-yl)oxy]methanamine;1-hydroxypyrrolidine-2,5-dione;(4R)-23-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,23-dioxotricosanoic acid;18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoic acid;octadecanedioic acid.

Molecular Properties

• Compound Name: (4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1-O-tert-butyl 18-O-(2,5-dioxopyrrolidin-1-yl) octadecanedioate;N,N-dimethyl-1,1-bis[(2-methylpropan-2-yl)oxy]methanamine;1-hydroxypyrrolidine-2,5-dione;(4R)-23-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,23-dioxotricosanoic acid;18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoic acid;octadecanedioic acid
• PubChem CID: 157285567
• Molecular Formula: C134H252N8O35
• Molecular Weight: 2535.51 g/mol
• Exact Mass: 2533.82
• IUPAC Name: (4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1-O-tert-butyl 18-O-(2,5-dioxopyrrolidin-1-yl) octadecanedioate;N,N-dimethyl-1,1-bis[(2-methylpropan-2-yl)oxy]methanamine;1-hydroxypyrrolidine-2,5-dione;(4R)-23-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,23-dioxotricosanoic acid;18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoic acid;octadecanedioic acid
• SMILES: CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)C[C@@H](CCC(=O)O)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)O.CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O.CC(C)(C)OC(=O)[C@@H](N)CCC(=O)O.CN(C)C(OC(C)(C)C)OC(C)(C)C.O=C(O)CCCCCCCCCCCCCCCCC(=O)O.O=C1CCC(=O)N1O.[N-]=[N+]=NCCOCCOCCOCCOCCOCCN
• InChI: InChI=1S/C32H58O7.C26H45NO6.C22H42O4.C18H34O4.C12H26N4O5.C11H25NO2.C9H17NO4.C4H5NO3/c1-31(2,3)38-29(36)22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-27(33)25-26(23-24-28(34)35)30(37)39-32(4,5)6;1-26(2,3)32-24(30)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-25(31)33-27-22(28)20-21-23(27)29;1-22(2,3)26-21(25)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20(23)24;19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22;13-1-3-17-5-7-19-9-11-21-12-10-20-8-6-18-4-2-15-16-14;1-10(2,3)13-9(12(7)8)14-11(4,5)6;1-9(2,3)14-8(13)6(10)4-5-7(11)12;6-3-1-2-4(7)5(3)8/h26H,7-25H2,1-6H3,(H,34,35);4-21H2,1-3H3;4-19H2,1-3H3,(H,23,24);1-16H2,(H,19,20)(H,21,22);1-13H2;9H,1-8H3;6H,4-5,10H2,1-3H3,(H,11,12);8H,1-2H2/t26-;;;;;;6-;/m1.....0./s1
• InChIKey: BAEPGJLLOGKGHQ-AOCVTJCVSA-N
• XLogP: 29.42
• TPSA: 625.01 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 99
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2535.51
LogP ≤ 5	29.42
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 (4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1-O-tert-butyl 18-O-(2,5-dioxopyrrolidin-1-yl) octadecanedioate;N,N-dimethyl-1,1-bis[(2-methylpropan-2-yl)oxy]methanamine;1-hydroxypyrrolidine-2,5-dione;(4R)-23-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,23-dioxotricosanoic acid;18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoic acid;octadecanedioic acid?

The IUPAC name of (4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1-O-tert-butyl 18-O-(2,5-dioxopyrrolidin-1-yl) octadecanedioate;N,N-dimethyl-1,1-bis[(2-methylpropan-2-yl)oxy]methanamine;1-hydroxypyrrolidine-2,5-dione;(4R)-23-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,23-dioxotricosanoic acid;18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoic acid;octadecanedioic acid (CID 157285567) is (4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1-O-tert-butyl 18-O-(2,5-dioxopyrrolidin-1-yl) octadecanedioate;N,N-dimethyl-1,1-bis[(2-methylpropan-2-yl)oxy]methanamine;1-hydroxypyrrolidine-2,5-dione;(4R)-23-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,23-dioxotricosanoic acid;18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoic acid;octadecanedioic acid.

What is the SMILES notation for (4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1-O-tert-butyl 18-O-(2,5-dioxopyrrolidin-1-yl) octadecanedioate;N,N-dimethyl-1,1-bis[(2-methylpropan-2-yl)oxy]methanamine;1-hydroxypyrrolidine-2,5-dione;(4R)-23-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,23-dioxotricosanoic acid;18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoic acid;octadecanedioic acid?

The canonical SMILES for (4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1-O-tert-butyl 18-O-(2,5-dioxopyrrolidin-1-yl) octadecanedioate;N,N-dimethyl-1,1-bis[(2-methylpropan-2-yl)oxy]methanamine;1-hydroxypyrrolidine-2,5-dione;(4R)-23-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,23-dioxotricosanoic acid;18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoic acid;octadecanedioic acid is CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)C[C@@H](CCC(=O)O)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)O.CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O.CC(C)(C)OC(=O)[C@@H](N)CCC(=O)O.CN(C)C(OC(C)(C)C)OC(C)(C)C.O=C(O)CCCCCCCCCCCCCCCCC(=O)O.O=C1CCC(=O)N1O.[N-]=[N+]=NCCOCCOCCOCCOCCOCCN.

What is the InChIKey of (4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1-O-tert-butyl 18-O-(2,5-dioxopyrrolidin-1-yl) octadecanedioate;N,N-dimethyl-1,1-bis[(2-methylpropan-2-yl)oxy]methanamine;1-hydroxypyrrolidine-2,5-dione;(4R)-23-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,23-dioxotricosanoic acid;18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoic acid;octadecanedioic acid?

The InChIKey is BAEPGJLLOGKGHQ-AOCVTJCVSA-N. The full InChI is InChI=1S/C32H58O7.C26H45NO6.C22H42O4.C18H34O4.C12H26N4O5.C11H25NO2.C9H17NO4.C4H5NO3/c1-31(2,3)38-29(36)22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-27(33)25-26(23-24-28(34)35)30(37)39-32(4,5)6;1-26(2,3)32-24(30)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-25(31)33-27-22(28)20-21-23(27)29;1-22(2,3)26-21(25)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20(23)24;19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22;13-1-3-17-5-7-19-9-11-21-12-10-20-8-6-18-4-2-15-16-14;1-10(2,3)13-9(12(7)8)14-11(4,5)6;1-9(2,3)14-8(13)6(10)4-5-7(11)12;6-3-1-2-4(7)5(3)8/h26H,7-25H2,1-6H3,(H,34,35);4-21H2,1-3H3;4-19H2,1-3H3,(H,23,24);1-16H2,(H,19,20)(H,21,22);1-13H2;9H,1-8H3;6H,4-5,10H2,1-3H3,(H,11,12);8H,1-2H2/t26-;;;;;;6-;/m1.....0./s1.

What are the key properties of (4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1-O-tert-butyl 18-O-(2,5-dioxopyrrolidin-1-yl) octadecanedioate;N,N-dimethyl-1,1-bis[(2-methylpropan-2-yl)oxy]methanamine;1-hydroxypyrrolidine-2,5-dione;(4R)-23-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,23-dioxotricosanoic acid;18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoic acid;octadecanedioic acid?

(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1-O-tert-butyl 18-O-(2,5-dioxopyrrolidin-1-yl) octadecanedioate;N,N-dimethyl-1,1-bis[(2-methylpropan-2-yl)oxy]methanamine;1-hydroxypyrrolidine-2,5-dione;(4R)-23-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,23-dioxotricosanoic acid;18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoic acid;octadecanedioic acid has a molecular weight of 2535.51 g/mol, XLogP of 29.42, 99 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1-O-tert-butyl 18-O-(2,5-dioxopyrrolidin-1-yl) octadecanedioate;N,N-dimethyl-1,1-bis[(2-methylpropan-2-yl)oxy]methanamine;1-hydroxypyrrolidine-2,5-dione;(4R)-23-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,23-dioxotricosanoic acid;18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoic acid;octadecanedioic acid is sourced from PubChem (CID 157285567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).