5-[[(4-carboxy-3-cyclopentylidenebutanoyl)amino]methyl]furan-2-carboxylic acid

C16H19NO6 — CID 57090817

IUPAC5-[[(4-carboxy-3-cyclopentylidenebutanoyl)amino]methyl]furan-2-carboxylic acid
SMILESO=C(O)CC(CC(=O)NCc1ccc(C(=O)O)o1)=C1CCCC1
InChIInChI=1S/C16H19NO6/c18-14(17-9-12-5-6-13(23-12)16(21)22)7-11(8-15(19)20)10-3-1-2-4-10/h5-6H,1-4,7-9H2,(H,17,18)(H,19,20)(H,21,22)
InChIKeyASEADHYEWYGCNJ-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.33
Rot. Bonds7

About 5-[[(4-carboxy-3-cyclopentylidenebutanoyl)amino]methyl]furan-2-carboxylic acid

5-[[(4-carboxy-3-cyclopentylidenebutanoyl)amino]methyl]furan-2-carboxylic acid (PubChem CID 57090817) has the molecular formula C16H19NO6 and a molecular weight of 321.33 g/mol. Its IUPAC name is 5-[[(4-carboxy-3-cyclopentylidenebutanoyl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(4-carboxy-3-cyclopentylidenebutanoyl)amino]methyl]furan-2-carboxylic acid
PubChem CID57090817
Molecular FormulaC16H19NO6
Molecular Weight321.33 g/mol
Exact Mass321.12
IUPAC Name5-[[(4-carboxy-3-cyclopentylidenebutanoyl)amino]methyl]furan-2-carboxylic acid
SMILESO=C(O)CC(CC(=O)NCc1ccc(C(=O)O)o1)=C1CCCC1
InChIInChI=1S/C16H19NO6/c18-14(17-9-12-5-6-13(23-12)16(21)22)7-11(8-15(19)20)10-3-1-2-4-10/h5-6H,1-4,7-9H2,(H,17,18)(H,19,20)(H,21,22)
InChIKeyASEADHYEWYGCNJ-UHFFFAOYSA-N
XLogP2.33
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[(1-methylcycloheptanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 120527275
5-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid
CID 119246000
5-[[[2-(5-oxo-2-phenylcyclopenten-1-yl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 90647994
5-[[3-(4-ethylphenyl)propanoylamino]methyl]furan-2-carboxylic acid
CID 119246024
5-[[[2-[acetyl(methyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
CID 79021920
5-[[[2-(4-phenylcyclohexyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 119246162
5-[[(2-benzylsulfanylacetyl)amino]methyl]furan-2-carboxylic acid
CID 79993972
5-[[[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 122564412
5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 75356368
5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid
CID 119245773
5-[[[2-(3-fluorophenyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 84586226
5-[[[2-[methyl(methylsulfonyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
CID 119245685

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-carboxy-3-cyclopentylidenebutanoyl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(4-carboxy-3-cyclopentylidenebutanoyl)amino]methyl]furan-2-carboxylic acid (CID 57090817) is 5-[[(4-carboxy-3-cyclopentylidenebutanoyl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(4-carboxy-3-cyclopentylidenebutanoyl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(4-carboxy-3-cyclopentylidenebutanoyl)amino]methyl]furan-2-carboxylic acid is O=C(O)CC(CC(=O)NCc1ccc(C(=O)O)o1)=C1CCCC1.
What is the InChIKey of 5-[[(4-carboxy-3-cyclopentylidenebutanoyl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is ASEADHYEWYGCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO6/c18-14(17-9-12-5-6-13(23-12)16(21)22)7-11(8-15(19)20)10-3-1-2-4-10/h5-6H,1-4,7-9H2,(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 5-[[(4-carboxy-3-cyclopentylidenebutanoyl)amino]methyl]furan-2-carboxylic acid?
5-[[(4-carboxy-3-cyclopentylidenebutanoyl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 321.33 g/mol, XLogP of 2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-carboxy-3-cyclopentylidenebutanoyl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 57090817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).