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

C9H11NO3 — CID 62409956

IUPAC5-[(2-methylcyclopropyl)amino]furan-2-carboxylic acid
SMILESCC1CC1Nc1ccc(C(=O)O)o1
InChIInChI=1S/C9H11NO3/c1-5-4-6(5)10-8-3-2-7(13-8)9(11)12/h2-3,5-6,10H,4H2,1H3,(H,11,12)
InChIKeyGGDTUKKKVZEYSJ-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.80
Rot. Bonds3

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

5-[(2-methylcyclopropyl)amino]furan-2-carboxylic acid (PubChem CID 62409956) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-[(2-methylcyclopropyl)amino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methylcyclopropyl)amino]furan-2-carboxylic acid
PubChem CID62409956
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name5-[(2-methylcyclopropyl)amino]furan-2-carboxylic acid
SMILESCC1CC1Nc1ccc(C(=O)O)o1
InChIInChI=1S/C9H11NO3/c1-5-4-6(5)10-8-3-2-7(13-8)9(11)12/h2-3,5-6,10H,4H2,1H3,(H,11,12)
InChIKeyGGDTUKKKVZEYSJ-UHFFFAOYSA-N
XLogP1.80
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylcyclopropyl)amino]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-methylcyclopropyl)amino]furan-2-carboxylic acid (CID 62409956) is 5-[(2-methylcyclopropyl)amino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methylcyclopropyl)amino]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-methylcyclopropyl)amino]furan-2-carboxylic acid is CC1CC1Nc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(2-methylcyclopropyl)amino]furan-2-carboxylic acid?
The InChIKey is GGDTUKKKVZEYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-5-4-6(5)10-8-3-2-7(13-8)9(11)12/h2-3,5-6,10H,4H2,1H3,(H,11,12).
What are the key properties of 5-[(2-methylcyclopropyl)amino]furan-2-carboxylic acid?
5-[(2-methylcyclopropyl)amino]furan-2-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylcyclopropyl)amino]furan-2-carboxylic acid is sourced from PubChem (CID 62409956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).