methyl 2-[[2-[2-hydroxyethyl-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-2-(3-hydroxyphenyl)acetyl]amino]acetate

C24H37N3O8 — CID 18045382

About methyl 2-[[2-[2-hydroxyethyl-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-2-(3-hydroxyphenyl)acetyl]amino]acetate

methyl 2-[[2-[2-hydroxyethyl-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-2-(3-hydroxyphenyl)acetyl]amino]acetate (PubChem CID 18045382) has the molecular formula C24H37N3O8 and a molecular weight of 495.57 g/mol. Its IUPAC name is methyl 2-[[2-[2-hydroxyethyl-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-2-(3-hydroxyphenyl)acetyl]amino]acetate.

Molecular Properties

• Compound Name: methyl 2-[[2-[2-hydroxyethyl-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-2-(3-hydroxyphenyl)acetyl]amino]acetate
• PubChem CID: 18045382
• Molecular Formula: C24H37N3O8
• Molecular Weight: 495.57 g/mol
• Exact Mass: 495.26
• IUPAC Name: methyl 2-[[2-[2-hydroxyethyl-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-2-(3-hydroxyphenyl)acetyl]amino]acetate
• SMILES: COC(=O)CNC(=O)C(c1cccc(O)c1)N(CCO)C(=O)C(CC(C)C)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C24H37N3O8/c1-15(2)12-18(26-23(33)35-24(3,4)5)22(32)27(10-11-28)20(16-8-7-9-17(29)13-16)21(31)25-14-19(30)34-6/h7-9,13,15,18,20,28-29H,10-12,14H2,1-6H3,(H,25,31)(H,26,33)
• InChIKey: FUPGSOUOYVFCNK-UHFFFAOYSA-N
• XLogP: 1.48
• TPSA: 154.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.57
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2-hydroxyethyl-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-2-(3-hydroxyphenyl)acetyl]amino]acetate?

The IUPAC name of methyl 2-[[2-[2-hydroxyethyl-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-2-(3-hydroxyphenyl)acetyl]amino]acetate (CID 18045382) is methyl 2-[[2-[2-hydroxyethyl-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-2-(3-hydroxyphenyl)acetyl]amino]acetate.

What is the SMILES notation for methyl 2-[[2-[2-hydroxyethyl-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-2-(3-hydroxyphenyl)acetyl]amino]acetate?

The canonical SMILES for methyl 2-[[2-[2-hydroxyethyl-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-2-(3-hydroxyphenyl)acetyl]amino]acetate is COC(=O)CNC(=O)C(c1cccc(O)c1)N(CCO)C(=O)C(CC(C)C)NC(=O)OC(C)(C)C.

What is the InChIKey of methyl 2-[[2-[2-hydroxyethyl-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-2-(3-hydroxyphenyl)acetyl]amino]acetate?

The InChIKey is FUPGSOUOYVFCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O8/c1-15(2)12-18(26-23(33)35-24(3,4)5)22(32)27(10-11-28)20(16-8-7-9-17(29)13-16)21(31)25-14-19(30)34-6/h7-9,13,15,18,20,28-29H,10-12,14H2,1-6H3,(H,25,31)(H,26,33).

What are the key properties of methyl 2-[[2-[2-hydroxyethyl-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-2-(3-hydroxyphenyl)acetyl]amino]acetate?

methyl 2-[[2-[2-hydroxyethyl-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-2-(3-hydroxyphenyl)acetyl]amino]acetate has a molecular weight of 495.57 g/mol, XLogP of 1.48, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[2-[2-hydroxyethyl-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-2-(3-hydroxyphenyl)acetyl]amino]acetate is sourced from PubChem (CID 18045382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).