(2R)-5-(1,3-dioxoisoindol-2-yl)-2-[2-oxo-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]pentanoic acid

C28H27NO5 — CID 70107348

IUPAC(2R)-5-(1,3-dioxoisoindol-2-yl)-2-[2-oxo-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]pentanoic acid
SMILESO=C(C[C@@H](CCCN1C(=O)c2ccccc2C1=O)C(=O)O)c1ccc2c(c1)CC1=C2CCCC1
InChIInChI=1S/C28H27NO5/c30-25(18-11-12-22-20(15-18)14-17-6-1-2-8-21(17)22)16-19(28(33)34)7-5-13-29-26(31)23-9-3-4-10-24(23)27(29)32/h3-4,9-12,15,19H,1-2,5-8,13-14,16H2,(H,33,34)/t19-/m1/s1
InChIKeyRBQPITRTAHDQMG-LJQANCHMSA-N
MW457.53 g/mol
LogP4.92
Rot. Bonds8

About (2R)-5-(1,3-dioxoisoindol-2-yl)-2-[2-oxo-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]pentanoic acid

(2R)-5-(1,3-dioxoisoindol-2-yl)-2-[2-oxo-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]pentanoic acid (PubChem CID 70107348) has the molecular formula C28H27NO5 and a molecular weight of 457.53 g/mol. Its IUPAC name is (2R)-5-(1,3-dioxoisoindol-2-yl)-2-[2-oxo-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]pentanoic acid.

Molecular Properties

Compound Name(2R)-5-(1,3-dioxoisoindol-2-yl)-2-[2-oxo-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]pentanoic acid
PubChem CID70107348
Molecular FormulaC28H27NO5
Molecular Weight457.53 g/mol
Exact Mass457.19
IUPAC Name(2R)-5-(1,3-dioxoisoindol-2-yl)-2-[2-oxo-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]pentanoic acid
SMILESO=C(C[C@@H](CCCN1C(=O)c2ccccc2C1=O)C(=O)O)c1ccc2c(c1)CC1=C2CCCC1
InChIInChI=1S/C28H27NO5/c30-25(18-11-12-22-20(15-18)14-17-6-1-2-8-21(17)22)16-19(28(33)34)7-5-13-29-26(31)23-9-3-4-10-24(23)27(29)32/h3-4,9-12,15,19H,1-2,5-8,13-14,16H2,(H,33,34)/t19-/m1/s1
InChIKeyRBQPITRTAHDQMG-LJQANCHMSA-N
XLogP4.92
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2R)-5-(1,3-dioxoisoindol-2-yl)-2-[2-oxo-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1,3-dioxoisoindol-2-yl)-2-[2-oxo-2-(6,7,8,9-tetrahydrodibenzofuran-3-yl)ethyl]pentanoic acid
CID 18318983
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
(2S)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]-5-(1,3-dioxoisoindol-2-yl)pentanoic acid
CID 67805260
(2S)-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-oxo-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)butanoic acid
CID 70105500
4-hydroxyimino-2-(3-oxo-1H-isoindole-2-carbonyl)-4-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)butanoic acid
CID 173255406
(2S)-5-(1,3-dioxoisoindol-2-yl)-2-hydroxypentanoic acid
CID 22795885
4-nitroso-4-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)-2-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]butanoic acid
CID 54117762
2-[(4-benzoylphenyl)sulfonylmethyl]-5-(1,3-dioxoisoindol-2-yl)pentanoic acid
CID 18533191
(2R)-2-[2-oxo-2-(6,7,8,9-tetrahydrodibenzofuran-3-yl)ethyl]-5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
CID 70089416
2-[2-(2,3-dihydro-1H-cyclopenta[b][1]benzofuran-6-yl)-2-nitrosoethyl]-5-(1,3-dioxoisoindol-2-yl)pentanoic acid
CID 54149655
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
4-[2-(4-chlorophenyl)phenyl]-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-oxobutanoic acid
CID 67604226

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(1,3-dioxoisoindol-2-yl)-2-[2-oxo-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]pentanoic acid?
The IUPAC name of (2R)-5-(1,3-dioxoisoindol-2-yl)-2-[2-oxo-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]pentanoic acid (CID 70107348) is (2R)-5-(1,3-dioxoisoindol-2-yl)-2-[2-oxo-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]pentanoic acid.
What is the SMILES notation for (2R)-5-(1,3-dioxoisoindol-2-yl)-2-[2-oxo-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]pentanoic acid?
The canonical SMILES for (2R)-5-(1,3-dioxoisoindol-2-yl)-2-[2-oxo-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]pentanoic acid is O=C(C[C@@H](CCCN1C(=O)c2ccccc2C1=O)C(=O)O)c1ccc2c(c1)CC1=C2CCCC1.
What is the InChIKey of (2R)-5-(1,3-dioxoisoindol-2-yl)-2-[2-oxo-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]pentanoic acid?
The InChIKey is RBQPITRTAHDQMG-LJQANCHMSA-N. The full InChI is InChI=1S/C28H27NO5/c30-25(18-11-12-22-20(15-18)14-17-6-1-2-8-21(17)22)16-19(28(33)34)7-5-13-29-26(31)23-9-3-4-10-24(23)27(29)32/h3-4,9-12,15,19H,1-2,5-8,13-14,16H2,(H,33,34)/t19-/m1/s1.
What are the key properties of (2R)-5-(1,3-dioxoisoindol-2-yl)-2-[2-oxo-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]pentanoic acid?
(2R)-5-(1,3-dioxoisoindol-2-yl)-2-[2-oxo-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]pentanoic acid has a molecular weight of 457.53 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(1,3-dioxoisoindol-2-yl)-2-[2-oxo-2-(6,7,8,9-tetrahydro-5H-fluoren-2-yl)ethyl]pentanoic acid is sourced from PubChem (CID 70107348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).