5-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-1-benzofuran-2-carboxylic acid

C19H20N2O5 — CID 120690794

IUPAC5-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2cc(NC(=O)C3CC(=O)N(C4CCCC4)C3)ccc2o1
InChIInChI=1S/C19H20N2O5/c22-17-9-12(10-21(17)14-3-1-2-4-14)18(23)20-13-5-6-15-11(7-13)8-16(26-15)19(24)25/h5-8,12,14H,1-4,9-10H2,(H,20,23)(H,24,25)
InChIKeyHDXXPWXJRVXNHF-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.86
Rot. Bonds4

About 5-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-1-benzofuran-2-carboxylic acid

5-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-1-benzofuran-2-carboxylic acid (PubChem CID 120690794) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 5-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-1-benzofuran-2-carboxylic acid
PubChem CID120690794
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name5-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2cc(NC(=O)C3CC(=O)N(C4CCCC4)C3)ccc2o1
InChIInChI=1S/C19H20N2O5/c22-17-9-12(10-21(17)14-3-1-2-4-14)18(23)20-13-5-6-15-11(7-13)8-16(26-15)19(24)25/h5-8,12,14H,1-4,9-10H2,(H,20,23)(H,24,25)
InChIKeyHDXXPWXJRVXNHF-UHFFFAOYSA-N
XLogP2.86
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclobutanecarbonylamino)-1-benzofuran-2-carboxylic acid
CID 120690709
(3R)-1-cyclohexyl-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 675322
1-cyclopentyl-N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46568551
(3S)-1-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 9364754
N-(3-chloro-4-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 17081380
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
(3R)-1-cyclopentyl-5-oxo-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 8571471
N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185550
1-cyclobutyl-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 110687616
(3R)-1-cyclohexyl-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40596002
N-(3-bromo-4-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 113182274
(3R)-N-(4-bromo-3-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 8572465

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-1-benzofuran-2-carboxylic acid (CID 120690794) is 5-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-1-benzofuran-2-carboxylic acid is O=C(O)c1cc2cc(NC(=O)C3CC(=O)N(C4CCCC4)C3)ccc2o1.
What is the InChIKey of 5-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-1-benzofuran-2-carboxylic acid?
The InChIKey is HDXXPWXJRVXNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c22-17-9-12(10-21(17)14-3-1-2-4-14)18(23)20-13-5-6-15-11(7-13)8-16(26-15)19(24)25/h5-8,12,14H,1-4,9-10H2,(H,20,23)(H,24,25).
What are the key properties of 5-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-1-benzofuran-2-carboxylic acid?
5-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-1-benzofuran-2-carboxylic acid has a molecular weight of 356.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 120690794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).