4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylic acid

C15H15NO4 — CID 57153906

IUPAC4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylic acid
SMILESCc1ccc(C2(Nc3occ(O)c3C(=O)O)CC2)cc1
InChIInChI=1S/C15H15NO4/c1-9-2-4-10(5-3-9)15(6-7-15)16-13-12(14(18)19)11(17)8-20-13/h2-5,8,16-17H,6-7H2,1H3,(H,18,19)
InChIKeyFOYCKFVRRCXNPR-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.09
Rot. Bonds4

About 4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylic acid

4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylic acid (PubChem CID 57153906) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylic acid
PubChem CID57153906
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylic acid
SMILESCc1ccc(C2(Nc3occ(O)c3C(=O)O)CC2)cc1
InChIInChI=1S/C15H15NO4/c1-9-2-4-10(5-3-9)15(6-7-15)16-13-12(14(18)19)11(17)8-20-13/h2-5,8,16-17H,6-7H2,1H3,(H,18,19)
InChIKeyFOYCKFVRRCXNPR-UHFFFAOYSA-N
XLogP3.09
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylic acid?
The IUPAC name of 4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylic acid (CID 57153906) is 4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylic acid is Cc1ccc(C2(Nc3occ(O)c3C(=O)O)CC2)cc1.
What is the InChIKey of 4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylic acid?
The InChIKey is FOYCKFVRRCXNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-9-2-4-10(5-3-9)15(6-7-15)16-13-12(14(18)19)11(17)8-20-13/h2-5,8,16-17H,6-7H2,1H3,(H,18,19).
What are the key properties of 4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylic acid?
4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylic acid is sourced from PubChem (CID 57153906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).