5-(1-hydroxypent-4-yn-2-ylamino)furan-2-carboxylic acid

C10H11NO4 — CID 165485960

IUPAC5-(1-hydroxypent-4-yn-2-ylamino)furan-2-carboxylic acid
SMILESC#CCC(CO)Nc1ccc(C(=O)O)o1
InChIInChI=1S/C10H11NO4/c1-2-3-7(6-12)11-9-5-4-8(15-9)10(13)14/h1,4-5,7,11-12H,3,6H2,(H,13,14)
InChIKeyWSYUMUBEODQQNI-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.77
Rot. Bonds5

About 5-(1-hydroxypent-4-yn-2-ylamino)furan-2-carboxylic acid

5-(1-hydroxypent-4-yn-2-ylamino)furan-2-carboxylic acid (PubChem CID 165485960) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 5-(1-hydroxypent-4-yn-2-ylamino)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-hydroxypent-4-yn-2-ylamino)furan-2-carboxylic acid
PubChem CID165485960
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name5-(1-hydroxypent-4-yn-2-ylamino)furan-2-carboxylic acid
SMILESC#CCC(CO)Nc1ccc(C(=O)O)o1
InChIInChI=1S/C10H11NO4/c1-2-3-7(6-12)11-9-5-4-8(15-9)10(13)14/h1,4-5,7,11-12H,3,6H2,(H,13,14)
InChIKeyWSYUMUBEODQQNI-UHFFFAOYSA-N
XLogP0.77
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxypent-4-yn-2-ylamino)furan-2-carboxylic acid?
The IUPAC name of 5-(1-hydroxypent-4-yn-2-ylamino)furan-2-carboxylic acid (CID 165485960) is 5-(1-hydroxypent-4-yn-2-ylamino)furan-2-carboxylic acid.
What is the SMILES notation for 5-(1-hydroxypent-4-yn-2-ylamino)furan-2-carboxylic acid?
The canonical SMILES for 5-(1-hydroxypent-4-yn-2-ylamino)furan-2-carboxylic acid is C#CCC(CO)Nc1ccc(C(=O)O)o1.
What is the InChIKey of 5-(1-hydroxypent-4-yn-2-ylamino)furan-2-carboxylic acid?
The InChIKey is WSYUMUBEODQQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-2-3-7(6-12)11-9-5-4-8(15-9)10(13)14/h1,4-5,7,11-12H,3,6H2,(H,13,14).
What are the key properties of 5-(1-hydroxypent-4-yn-2-ylamino)furan-2-carboxylic acid?
5-(1-hydroxypent-4-yn-2-ylamino)furan-2-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxypent-4-yn-2-ylamino)furan-2-carboxylic acid is sourced from PubChem (CID 165485960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).