(2R)-2-[(1,3-dioxobenzo[f]isoindol-2-yl)methyl]cyclopentane-1-carboxylic acid

C19H17NO4 — CID 142013394

IUPAC(2R)-2-[(1,3-dioxobenzo[f]isoindol-2-yl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC[C@H]1CN1C(=O)c2cc3ccccc3cc2C1=O
InChIInChI=1S/C19H17NO4/c21-17-15-8-11-4-1-2-5-12(11)9-16(15)18(22)20(17)10-13-6-3-7-14(13)19(23)24/h1-2,4-5,8-9,13-14H,3,6-7,10H2,(H,23,24)/t13-,14?/m0/s1
InChIKeyIHQUSXIZUCGIFY-LSLKUGRBSA-N
MW323.35 g/mol
LogP2.94
Rot. Bonds3

About (2R)-2-[(1,3-dioxobenzo[f]isoindol-2-yl)methyl]cyclopentane-1-carboxylic acid

(2R)-2-[(1,3-dioxobenzo[f]isoindol-2-yl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 142013394) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is (2R)-2-[(1,3-dioxobenzo[f]isoindol-2-yl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[(1,3-dioxobenzo[f]isoindol-2-yl)methyl]cyclopentane-1-carboxylic acid
PubChem CID142013394
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name(2R)-2-[(1,3-dioxobenzo[f]isoindol-2-yl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC[C@H]1CN1C(=O)c2cc3ccccc3cc2C1=O
InChIInChI=1S/C19H17NO4/c21-17-15-8-11-4-1-2-5-12(11)9-16(15)18(22)20(17)10-13-6-3-7-14(13)19(23)24/h1-2,4-5,8-9,13-14H,3,6-7,10H2,(H,23,24)/t13-,14?/m0/s1
InChIKeyIHQUSXIZUCGIFY-LSLKUGRBSA-N
XLogP2.94
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-phenylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 79688831
anthracene;cyclohexane-1,2-dicarboxylic acid
CID 160819171
2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-hydroxypropyl)cyclohexane-1-carboxamide
CID 108786916
N-(4,6-dimethylpyrimidin-2-yl)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide
CID 108799768
N-(3,4-dimethylphenyl)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide
CID 108786922
cis-(1R,2S)-2-benzylcyclohexane-1-carboxylic acid
CID 71363465
2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 108799794
2-[[2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 108786803
2-[[2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexanecarbonyl]amino]pentanoic acid
CID 108786872
N-(2,5-dimethylpyrazol-3-yl)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide
CID 108799859
2-[(2-oxo-1H-imidazol-3-yl)methyl]cyclopentane-1-carboxylic acid
CID 103124423
2-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 108786926

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1,3-dioxobenzo[f]isoindol-2-yl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of (2R)-2-[(1,3-dioxobenzo[f]isoindol-2-yl)methyl]cyclopentane-1-carboxylic acid (CID 142013394) is (2R)-2-[(1,3-dioxobenzo[f]isoindol-2-yl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for (2R)-2-[(1,3-dioxobenzo[f]isoindol-2-yl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for (2R)-2-[(1,3-dioxobenzo[f]isoindol-2-yl)methyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCC[C@H]1CN1C(=O)c2cc3ccccc3cc2C1=O.
What is the InChIKey of (2R)-2-[(1,3-dioxobenzo[f]isoindol-2-yl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is IHQUSXIZUCGIFY-LSLKUGRBSA-N. The full InChI is InChI=1S/C19H17NO4/c21-17-15-8-11-4-1-2-5-12(11)9-16(15)18(22)20(17)10-13-6-3-7-14(13)19(23)24/h1-2,4-5,8-9,13-14H,3,6-7,10H2,(H,23,24)/t13-,14?/m0/s1.
What are the key properties of (2R)-2-[(1,3-dioxobenzo[f]isoindol-2-yl)methyl]cyclopentane-1-carboxylic acid?
(2R)-2-[(1,3-dioxobenzo[f]isoindol-2-yl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 323.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1,3-dioxobenzo[f]isoindol-2-yl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 142013394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).