1-[[1-(2-methoxyacetyl)-2,3-dihydroindol-4-yl]carbamoyl]cyclopent-3-ene-1-carboxylic acid

C18H20N2O5 — CID 146135997

IUPAC1-[[1-(2-methoxyacetyl)-2,3-dihydroindol-4-yl]carbamoyl]cyclopent-3-ene-1-carboxylic acid
SMILESCOCC(=O)N1CCc2c(NC(=O)C3(C(=O)O)CC=CC3)cccc21
InChIInChI=1S/C18H20N2O5/c1-25-11-15(21)20-10-7-12-13(5-4-6-14(12)20)19-16(22)18(17(23)24)8-2-3-9-18/h2-6H,7-11H2,1H3,(H,19,22)(H,23,24)
InChIKeyQUNBJKSFYSTGGT-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.58
Rot. Bonds5

About 1-[[1-(2-methoxyacetyl)-2,3-dihydroindol-4-yl]carbamoyl]cyclopent-3-ene-1-carboxylic acid

1-[[1-(2-methoxyacetyl)-2,3-dihydroindol-4-yl]carbamoyl]cyclopent-3-ene-1-carboxylic acid (PubChem CID 146135997) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-[[1-(2-methoxyacetyl)-2,3-dihydroindol-4-yl]carbamoyl]cyclopent-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(2-methoxyacetyl)-2,3-dihydroindol-4-yl]carbamoyl]cyclopent-3-ene-1-carboxylic acid
PubChem CID146135997
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name1-[[1-(2-methoxyacetyl)-2,3-dihydroindol-4-yl]carbamoyl]cyclopent-3-ene-1-carboxylic acid
SMILESCOCC(=O)N1CCc2c(NC(=O)C3(C(=O)O)CC=CC3)cccc21
InChIInChI=1S/C18H20N2O5/c1-25-11-15(21)20-10-7-12-13(5-4-6-14(12)20)19-16(22)18(17(23)24)8-2-3-9-18/h2-6H,7-11H2,1H3,(H,19,22)(H,23,24)
InChIKeyQUNBJKSFYSTGGT-UHFFFAOYSA-N
XLogP1.58
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[[1-(2-methoxyacetyl)-2,3-dihydroindol-4-yl]carbamoyl]cyclopent-3-ene-1-carboxylic acid with MolForge

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Related Compounds

3-[3-[[1-(2-methoxyacetyl)-2,3-dihydroindol-4-yl]carbamoylamino]phenyl]propanoic acid
CID 122089802
1-[4-[(2,6-dimethyl-4-pyridinyl)methylamino]-2,3-dihydroindol-1-yl]-2-methoxyethanone
CID 167849916
methyl 5-(4-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate
CID 75523169
1-[4-(methylamino)-2,3-dihydroindol-1-yl]-2-(prop-1-en-2-ylamino)ethanone
CID 171813658
2-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
CID 16835177
2-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 17386781
3-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 121204186
2-[(1-pentanoyl-2,3-dihydroindol-4-yl)oxy]acetic acid
CID 59281726
4-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]butanoic acid
CID 82260139
[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]thiourea
CID 169359260
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542921
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one
CID 2151958

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyacetyl)-2,3-dihydroindol-4-yl]carbamoyl]cyclopent-3-ene-1-carboxylic acid?
The IUPAC name of 1-[[1-(2-methoxyacetyl)-2,3-dihydroindol-4-yl]carbamoyl]cyclopent-3-ene-1-carboxylic acid (CID 146135997) is 1-[[1-(2-methoxyacetyl)-2,3-dihydroindol-4-yl]carbamoyl]cyclopent-3-ene-1-carboxylic acid.
What is the SMILES notation for 1-[[1-(2-methoxyacetyl)-2,3-dihydroindol-4-yl]carbamoyl]cyclopent-3-ene-1-carboxylic acid?
The canonical SMILES for 1-[[1-(2-methoxyacetyl)-2,3-dihydroindol-4-yl]carbamoyl]cyclopent-3-ene-1-carboxylic acid is COCC(=O)N1CCc2c(NC(=O)C3(C(=O)O)CC=CC3)cccc21.
What is the InChIKey of 1-[[1-(2-methoxyacetyl)-2,3-dihydroindol-4-yl]carbamoyl]cyclopent-3-ene-1-carboxylic acid?
The InChIKey is QUNBJKSFYSTGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-25-11-15(21)20-10-7-12-13(5-4-6-14(12)20)19-16(22)18(17(23)24)8-2-3-9-18/h2-6H,7-11H2,1H3,(H,19,22)(H,23,24).
What are the key properties of 1-[[1-(2-methoxyacetyl)-2,3-dihydroindol-4-yl]carbamoyl]cyclopent-3-ene-1-carboxylic acid?
1-[[1-(2-methoxyacetyl)-2,3-dihydroindol-4-yl]carbamoyl]cyclopent-3-ene-1-carboxylic acid has a molecular weight of 344.37 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyacetyl)-2,3-dihydroindol-4-yl]carbamoyl]cyclopent-3-ene-1-carboxylic acid is sourced from PubChem (CID 146135997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).