cis-(1R,2S)-2-(2-oxo-1,3-dihydroindole-5-carbonyl)cyclobutane-1-carboxylic acid

C14H13NO4 — CID 22827913

IUPACcis-(1R,2S)-2-(2-oxo-1,3-dihydroindole-5-carbonyl)cyclobutane-1-carboxylic acid
SMILESO=C1Cc2cc(C(=O)[C@H]3CC[C@H]3C(=O)O)ccc2N1
InChIInChI=1S/C14H13NO4/c16-12-6-8-5-7(1-4-11(8)15-12)13(17)9-2-3-10(9)14(18)19/h1,4-5,9-10H,2-3,6H2,(H,15,16)(H,18,19)/t9-,10+/m0/s1
InChIKeyZTQARLXGDITBTN-VHSXEESVSA-N
MW259.26 g/mol
LogP1.47
Rot. Bonds3

About cis-(1R,2S)-2-(2-oxo-1,3-dihydroindole-5-carbonyl)cyclobutane-1-carboxylic acid

cis-(1R,2S)-2-(2-oxo-1,3-dihydroindole-5-carbonyl)cyclobutane-1-carboxylic acid (PubChem CID 22827913) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is cis-(1R,2S)-2-(2-oxo-1,3-dihydroindole-5-carbonyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-(2-oxo-1,3-dihydroindole-5-carbonyl)cyclobutane-1-carboxylic acid
PubChem CID22827913
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Namecis-(1R,2S)-2-(2-oxo-1,3-dihydroindole-5-carbonyl)cyclobutane-1-carboxylic acid
SMILESO=C1Cc2cc(C(=O)[C@H]3CC[C@H]3C(=O)O)ccc2N1
InChIInChI=1S/C14H13NO4/c16-12-6-8-5-7(1-4-11(8)15-12)13(17)9-2-3-10(9)14(18)19/h1,4-5,9-10H,2-3,6H2,(H,15,16)(H,18,19)/t9-,10+/m0/s1
InChIKeyZTQARLXGDITBTN-VHSXEESVSA-N
XLogP1.47
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methyloxolane-3-carbonyl)-1,3-dihydroindol-2-one
CID 79759211
5-(cyclopentanecarbonyl)-1,3-dihydroindol-2-one
CID 43160619
5-(cyclooctanecarbonyl)-1,3-dihydroindol-2-one
CID 65018582
5-(oxirane-2-carbonyl)-1,3-dihydroindol-2-one
CID 116826431
5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one
CID 43160614
3-methyl-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 102775453
N-(3-methylcyclobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103720343
(2S)-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 96669399
(E)-3-cyclobutyl-3-(2-oxo-1,3-dihydroindol-5-yl)prop-2-enoic acid
CID 82299852
2-oxo-1,3-dihydroindole-5-carbonyl cyanide
CID 116918958
5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one
CID 43160600
5-(2,2,2-trifluoroacetyl)-1,3-dihydroindol-2-one
CID 80503823

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(2-oxo-1,3-dihydroindole-5-carbonyl)cyclobutane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-(2-oxo-1,3-dihydroindole-5-carbonyl)cyclobutane-1-carboxylic acid (CID 22827913) is cis-(1R,2S)-2-(2-oxo-1,3-dihydroindole-5-carbonyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-(2-oxo-1,3-dihydroindole-5-carbonyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-(2-oxo-1,3-dihydroindole-5-carbonyl)cyclobutane-1-carboxylic acid is O=C1Cc2cc(C(=O)[C@H]3CC[C@H]3C(=O)O)ccc2N1.
What is the InChIKey of cis-(1R,2S)-2-(2-oxo-1,3-dihydroindole-5-carbonyl)cyclobutane-1-carboxylic acid?
The InChIKey is ZTQARLXGDITBTN-VHSXEESVSA-N. The full InChI is InChI=1S/C14H13NO4/c16-12-6-8-5-7(1-4-11(8)15-12)13(17)9-2-3-10(9)14(18)19/h1,4-5,9-10H,2-3,6H2,(H,15,16)(H,18,19)/t9-,10+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(2-oxo-1,3-dihydroindole-5-carbonyl)cyclobutane-1-carboxylic acid?
cis-(1R,2S)-2-(2-oxo-1,3-dihydroindole-5-carbonyl)cyclobutane-1-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(2-oxo-1,3-dihydroindole-5-carbonyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 22827913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).