5-[1-[(1-methylcyclopropyl)amino]ethyl]furan-2-carboxylic acid

C11H15NO3 — CID 103264000

IUPAC5-[1-[(1-methylcyclopropyl)amino]ethyl]furan-2-carboxylic acid
SMILESCC(NC1(C)CC1)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H15NO3/c1-7(12-11(2)5-6-11)8-3-4-9(15-8)10(13)14/h3-4,7,12H,5-6H2,1-2H3,(H,13,14)
InChIKeyGJNLHUXSKIIJIU-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.18
Rot. Bonds4

About 5-[1-[(1-methylcyclopropyl)amino]ethyl]furan-2-carboxylic acid

5-[1-[(1-methylcyclopropyl)amino]ethyl]furan-2-carboxylic acid (PubChem CID 103264000) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-[1-[(1-methylcyclopropyl)amino]ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[(1-methylcyclopropyl)amino]ethyl]furan-2-carboxylic acid
PubChem CID103264000
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name5-[1-[(1-methylcyclopropyl)amino]ethyl]furan-2-carboxylic acid
SMILESCC(NC1(C)CC1)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H15NO3/c1-7(12-11(2)5-6-11)8-3-4-9(15-8)10(13)14/h3-4,7,12H,5-6H2,1-2H3,(H,13,14)
InChIKeyGJNLHUXSKIIJIU-UHFFFAOYSA-N
XLogP2.18
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1-methylcyclopropyl)amino]ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-[(1-methylcyclopropyl)amino]ethyl]furan-2-carboxylic acid (CID 103264000) is 5-[1-[(1-methylcyclopropyl)amino]ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-[(1-methylcyclopropyl)amino]ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-[(1-methylcyclopropyl)amino]ethyl]furan-2-carboxylic acid is CC(NC1(C)CC1)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-[(1-methylcyclopropyl)amino]ethyl]furan-2-carboxylic acid?
The InChIKey is GJNLHUXSKIIJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7(12-11(2)5-6-11)8-3-4-9(15-8)10(13)14/h3-4,7,12H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 5-[1-[(1-methylcyclopropyl)amino]ethyl]furan-2-carboxylic acid?
5-[1-[(1-methylcyclopropyl)amino]ethyl]furan-2-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1-methylcyclopropyl)amino]ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 103264000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).