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

C14H13NO4 — CID 57180481

IUPAC4-hydroxy-2-[(1-phenylcyclopropyl)amino]furan-3-carboxylic acid
SMILESO=C(O)c1c(O)coc1NC1(c2ccccc2)CC1
InChIInChI=1S/C14H13NO4/c16-10-8-19-12(11(10)13(17)18)15-14(6-7-14)9-4-2-1-3-5-9/h1-5,8,15-16H,6-7H2,(H,17,18)
InChIKeySRQSGWDGJBWQKO-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.78
Rot. Bonds4

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

4-hydroxy-2-[(1-phenylcyclopropyl)amino]furan-3-carboxylic acid (PubChem CID 57180481) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-hydroxy-2-[(1-phenylcyclopropyl)amino]furan-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2-[(1-phenylcyclopropyl)amino]furan-3-carboxylic acid
PubChem CID57180481
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name4-hydroxy-2-[(1-phenylcyclopropyl)amino]furan-3-carboxylic acid
SMILESO=C(O)c1c(O)coc1NC1(c2ccccc2)CC1
InChIInChI=1S/C14H13NO4/c16-10-8-19-12(11(10)13(17)18)15-14(6-7-14)9-4-2-1-3-5-9/h1-5,8,15-16H,6-7H2,(H,17,18)
InChIKeySRQSGWDGJBWQKO-UHFFFAOYSA-N
XLogP2.78
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.78
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-phenylcyclopropyl)amino]furan-3-carboxylic acid?
The IUPAC name of 4-hydroxy-2-[(1-phenylcyclopropyl)amino]furan-3-carboxylic acid (CID 57180481) is 4-hydroxy-2-[(1-phenylcyclopropyl)amino]furan-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-2-[(1-phenylcyclopropyl)amino]furan-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-2-[(1-phenylcyclopropyl)amino]furan-3-carboxylic acid is O=C(O)c1c(O)coc1NC1(c2ccccc2)CC1.
What is the InChIKey of 4-hydroxy-2-[(1-phenylcyclopropyl)amino]furan-3-carboxylic acid?
The InChIKey is SRQSGWDGJBWQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-10-8-19-12(11(10)13(17)18)15-14(6-7-14)9-4-2-1-3-5-9/h1-5,8,15-16H,6-7H2,(H,17,18).
What are the key properties of 4-hydroxy-2-[(1-phenylcyclopropyl)amino]furan-3-carboxylic acid?
4-hydroxy-2-[(1-phenylcyclopropyl)amino]furan-3-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 2.78, 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-phenylcyclopropyl)amino]furan-3-carboxylic acid is sourced from PubChem (CID 57180481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).