5-[(1R)-1-aminopropyl]furan-3-carboxylic acid

C8H11NO3 — CID 123757015

IUPAC5-[(1R)-1-aminopropyl]furan-3-carboxylic acid
SMILESCC[C@@H](N)c1cc(C(=O)O)co1
InChIInChI=1S/C8H11NO3/c1-2-6(9)7-3-5(4-12-7)8(10)11/h3-4,6H,2,9H2,1H3,(H,10,11)/t6-/m1/s1
InChIKeyGUDQHADGQAKKRO-ZCFIWIBFSA-N
MW169.18 g/mol
LogP1.39
Rot. Bonds3

About 5-[(1R)-1-aminopropyl]furan-3-carboxylic acid

5-[(1R)-1-aminopropyl]furan-3-carboxylic acid (PubChem CID 123757015) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-[(1R)-1-aminopropyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1R)-1-aminopropyl]furan-3-carboxylic acid
PubChem CID123757015
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name5-[(1R)-1-aminopropyl]furan-3-carboxylic acid
SMILESCC[C@@H](N)c1cc(C(=O)O)co1
InChIInChI=1S/C8H11NO3/c1-2-6(9)7-3-5(4-12-7)8(10)11/h3-4,6H,2,9H2,1H3,(H,10,11)/t6-/m1/s1
InChIKeyGUDQHADGQAKKRO-ZCFIWIBFSA-N
XLogP1.39
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-aminopropyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(1R)-1-aminopropyl]furan-3-carboxylic acid (CID 123757015) is 5-[(1R)-1-aminopropyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(1R)-1-aminopropyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(1R)-1-aminopropyl]furan-3-carboxylic acid is CC[C@@H](N)c1cc(C(=O)O)co1.
What is the InChIKey of 5-[(1R)-1-aminopropyl]furan-3-carboxylic acid?
The InChIKey is GUDQHADGQAKKRO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11NO3/c1-2-6(9)7-3-5(4-12-7)8(10)11/h3-4,6H,2,9H2,1H3,(H,10,11)/t6-/m1/s1.
What are the key properties of 5-[(1R)-1-aminopropyl]furan-3-carboxylic acid?
5-[(1R)-1-aminopropyl]furan-3-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-aminopropyl]furan-3-carboxylic acid is sourced from PubChem (CID 123757015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).