5-[[[2-(5-oxo-2-phenylcyclopenten-1-yl)acetyl]amino]methyl]furan-2-carboxylic acid

C19H17NO5 — CID 90647994

IUPAC5-[[[2-(5-oxo-2-phenylcyclopenten-1-yl)acetyl]amino]methyl]furan-2-carboxylic acid
SMILESO=C(CC1=C(c2ccccc2)CCC1=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C19H17NO5/c21-16-8-7-14(12-4-2-1-3-5-12)15(16)10-18(22)20-11-13-6-9-17(25-13)19(23)24/h1-6,9H,7-8,10-11H2,(H,20,22)(H,23,24)
InChIKeyWCNSAWPXEBTEHX-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.80
Rot. Bonds6

About 5-[[[2-(5-oxo-2-phenylcyclopenten-1-yl)acetyl]amino]methyl]furan-2-carboxylic acid

5-[[[2-(5-oxo-2-phenylcyclopenten-1-yl)acetyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 90647994) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 5-[[[2-(5-oxo-2-phenylcyclopenten-1-yl)acetyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(5-oxo-2-phenylcyclopenten-1-yl)acetyl]amino]methyl]furan-2-carboxylic acid
PubChem CID90647994
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name5-[[[2-(5-oxo-2-phenylcyclopenten-1-yl)acetyl]amino]methyl]furan-2-carboxylic acid
SMILESO=C(CC1=C(c2ccccc2)CCC1=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C19H17NO5/c21-16-8-7-14(12-4-2-1-3-5-12)15(16)10-18(22)20-11-13-6-9-17(25-13)19(23)24/h1-6,9H,7-8,10-11H2,(H,20,22)(H,23,24)
InChIKeyWCNSAWPXEBTEHX-UHFFFAOYSA-N
XLogP2.80
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[[2-(5-oxo-2-phenylcyclopenten-1-yl)acetyl]amino]methyl]furan-2-carboxylic 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

N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide
CID 131891615
5-[[(2-benzylsulfanylacetyl)amino]methyl]furan-2-carboxylic acid
CID 79993972
5-[[[2-(3-fluorophenyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 84586226
5-[[(4-carboxy-3-cyclopentylidenebutanoyl)amino]methyl]furan-2-carboxylic acid
CID 57090817
5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 75356368
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide
CID 56711373
5-[[(2-methyl-2-phenylpropanoyl)amino]methyl]furan-2-carboxylic acid
CID 79994106
5-[[[2-(4-phenylcyclohexyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 119246162
5-[[[2-(9-methylcarbazol-3-yl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 90652793
2-(5-oxo-2-phenylcyclopenten-1-yl)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide
CID 137242270
5-[[[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 122564412
5-[[[2-methyl-2-(2-methylphenyl)propanoyl]amino]methyl]furan-2-carboxylic acid
CID 119246063

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(5-oxo-2-phenylcyclopenten-1-yl)acetyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[2-(5-oxo-2-phenylcyclopenten-1-yl)acetyl]amino]methyl]furan-2-carboxylic acid (CID 90647994) is 5-[[[2-(5-oxo-2-phenylcyclopenten-1-yl)acetyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-(5-oxo-2-phenylcyclopenten-1-yl)acetyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[2-(5-oxo-2-phenylcyclopenten-1-yl)acetyl]amino]methyl]furan-2-carboxylic acid is O=C(CC1=C(c2ccccc2)CCC1=O)NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[[2-(5-oxo-2-phenylcyclopenten-1-yl)acetyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is WCNSAWPXEBTEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c21-16-8-7-14(12-4-2-1-3-5-12)15(16)10-18(22)20-11-13-6-9-17(25-13)19(23)24/h1-6,9H,7-8,10-11H2,(H,20,22)(H,23,24).
What are the key properties of 5-[[[2-(5-oxo-2-phenylcyclopenten-1-yl)acetyl]amino]methyl]furan-2-carboxylic acid?
5-[[[2-(5-oxo-2-phenylcyclopenten-1-yl)acetyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 339.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(5-oxo-2-phenylcyclopenten-1-yl)acetyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 90647994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).