2-[(2Z)-2-hydroxyimino-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]-5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid

C26H33N3O5 — CID 18318948

IUPAC2-[(2Z)-2-hydroxyimino-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]-5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
SMILESCN1C(=O)N(CCCC(C/C(=N/O)c2ccc3c(c2)CC2=C3CCCC2)C(=O)O)C(=O)C1(C)C
InChIInChI=1S/C26H33N3O5/c1-26(2)24(32)29(25(33)28(26)3)12-6-8-18(23(30)31)15-22(27-34)17-10-11-21-19(14-17)13-16-7-4-5-9-20(16)21/h10-11,14,18,34H,4-9,12-13,15H2,1-3H3,(H,30,31)/b27-22-
InChIKeyJHGUDNRHUSOZEF-QYQHSDTDSA-N
MW467.57 g/mol
LogP4.29
Rot. Bonds8

About 2-[(2Z)-2-hydroxyimino-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]-5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid

2-[(2Z)-2-hydroxyimino-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]-5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid (PubChem CID 18318948) has the molecular formula C26H33N3O5 and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-[(2Z)-2-hydroxyimino-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]-5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-[(2Z)-2-hydroxyimino-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]-5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
PubChem CID18318948
Molecular FormulaC26H33N3O5
Molecular Weight467.57 g/mol
Exact Mass467.24
IUPAC Name2-[(2Z)-2-hydroxyimino-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]-5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
SMILESCN1C(=O)N(CCCC(C/C(=N/O)c2ccc3c(c2)CC2=C3CCCC2)C(=O)O)C(=O)C1(C)C
InChIInChI=1S/C26H33N3O5/c1-26(2)24(32)29(25(33)28(26)3)12-6-8-18(23(30)31)15-22(27-34)17-10-11-21-19(14-17)13-16-7-4-5-9-20(16)21/h10-11,14,18,34H,4-9,12-13,15H2,1-3H3,(H,30,31)/b27-22-
InChIKeyJHGUDNRHUSOZEF-QYQHSDTDSA-N
XLogP4.29
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-hydroxyimino-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]-5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid?
The IUPAC name of 2-[(2Z)-2-hydroxyimino-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]-5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid (CID 18318948) is 2-[(2Z)-2-hydroxyimino-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]-5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-[(2Z)-2-hydroxyimino-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]-5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid?
The canonical SMILES for 2-[(2Z)-2-hydroxyimino-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]-5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid is CN1C(=O)N(CCCC(C/C(=N/O)c2ccc3c(c2)CC2=C3CCCC2)C(=O)O)C(=O)C1(C)C.
What is the InChIKey of 2-[(2Z)-2-hydroxyimino-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]-5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid?
The InChIKey is JHGUDNRHUSOZEF-QYQHSDTDSA-N. The full InChI is InChI=1S/C26H33N3O5/c1-26(2)24(32)29(25(33)28(26)3)12-6-8-18(23(30)31)15-22(27-34)17-10-11-21-19(14-17)13-16-7-4-5-9-20(16)21/h10-11,14,18,34H,4-9,12-13,15H2,1-3H3,(H,30,31)/b27-22-.
What are the key properties of 2-[(2Z)-2-hydroxyimino-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]-5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid?
2-[(2Z)-2-hydroxyimino-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]-5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid has a molecular weight of 467.57 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-hydroxyimino-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]-5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid is sourced from PubChem (CID 18318948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).