5-(3-amino-1,2-dihydroxy-3-oxopropyl)furan-2-carboxylic acid

C8H9NO6 — CID 171867797

IUPAC5-(3-amino-1,2-dihydroxy-3-oxopropyl)furan-2-carboxylic acid
SMILESNC(=O)C(O)C(O)c1ccc(C(=O)O)o1
InChIInChI=1S/C8H9NO6/c9-7(12)6(11)5(10)3-1-2-4(15-3)8(13)14/h1-2,5-6,10-11H,(H2,9,12)(H,13,14)
InChIKeyVROKGKDDMCZCOT-UHFFFAOYSA-N
MW215.16 g/mol
LogP-1.14
Rot. Bonds4

About 5-(3-amino-1,2-dihydroxy-3-oxopropyl)furan-2-carboxylic acid

5-(3-amino-1,2-dihydroxy-3-oxopropyl)furan-2-carboxylic acid (PubChem CID 171867797) has the molecular formula C8H9NO6 and a molecular weight of 215.16 g/mol. Its IUPAC name is 5-(3-amino-1,2-dihydroxy-3-oxopropyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-amino-1,2-dihydroxy-3-oxopropyl)furan-2-carboxylic acid
PubChem CID171867797
Molecular FormulaC8H9NO6
Molecular Weight215.16 g/mol
Exact Mass215.04
IUPAC Name5-(3-amino-1,2-dihydroxy-3-oxopropyl)furan-2-carboxylic acid
SMILESNC(=O)C(O)C(O)c1ccc(C(=O)O)o1
InChIInChI=1S/C8H9NO6/c9-7(12)6(11)5(10)3-1-2-4(15-3)8(13)14/h1-2,5-6,10-11H,(H2,9,12)(H,13,14)
InChIKeyVROKGKDDMCZCOT-UHFFFAOYSA-N
XLogP-1.14
TPSA133.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-1,2-dihydroxy-3-oxopropyl)furan-2-carboxylic acid?
The IUPAC name of 5-(3-amino-1,2-dihydroxy-3-oxopropyl)furan-2-carboxylic acid (CID 171867797) is 5-(3-amino-1,2-dihydroxy-3-oxopropyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(3-amino-1,2-dihydroxy-3-oxopropyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(3-amino-1,2-dihydroxy-3-oxopropyl)furan-2-carboxylic acid is NC(=O)C(O)C(O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-(3-amino-1,2-dihydroxy-3-oxopropyl)furan-2-carboxylic acid?
The InChIKey is VROKGKDDMCZCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO6/c9-7(12)6(11)5(10)3-1-2-4(15-3)8(13)14/h1-2,5-6,10-11H,(H2,9,12)(H,13,14).
What are the key properties of 5-(3-amino-1,2-dihydroxy-3-oxopropyl)furan-2-carboxylic acid?
5-(3-amino-1,2-dihydroxy-3-oxopropyl)furan-2-carboxylic acid has a molecular weight of 215.16 g/mol, XLogP of -1.14, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-1,2-dihydroxy-3-oxopropyl)furan-2-carboxylic acid is sourced from PubChem (CID 171867797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).