5-[[cyclopropyl(2-methylpropyl)amino]methyl]furan-3-carboxylic acid

C13H19NO3 — CID 62267649

IUPAC5-[[cyclopropyl(2-methylpropyl)amino]methyl]furan-3-carboxylic acid
SMILESCC(C)CN(Cc1cc(C(=O)O)co1)C1CC1
InChIInChI=1S/C13H19NO3/c1-9(2)6-14(11-3-4-11)7-12-5-10(8-17-12)13(15)16/h5,8-9,11H,3-4,6-7H2,1-2H3,(H,15,16)
InChIKeyZDNNJLOEGHNHQO-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.60
Rot. Bonds6

About 5-[[cyclopropyl(2-methylpropyl)amino]methyl]furan-3-carboxylic acid

5-[[cyclopropyl(2-methylpropyl)amino]methyl]furan-3-carboxylic acid (PubChem CID 62267649) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-[[cyclopropyl(2-methylpropyl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[cyclopropyl(2-methylpropyl)amino]methyl]furan-3-carboxylic acid
PubChem CID62267649
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name5-[[cyclopropyl(2-methylpropyl)amino]methyl]furan-3-carboxylic acid
SMILESCC(C)CN(Cc1cc(C(=O)O)co1)C1CC1
InChIInChI=1S/C13H19NO3/c1-9(2)6-14(11-3-4-11)7-12-5-10(8-17-12)13(15)16/h5,8-9,11H,3-4,6-7H2,1-2H3,(H,15,16)
InChIKeyZDNNJLOEGHNHQO-UHFFFAOYSA-N
XLogP2.60
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl(2-methylpropyl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[cyclopropyl(2-methylpropyl)amino]methyl]furan-3-carboxylic acid (CID 62267649) is 5-[[cyclopropyl(2-methylpropyl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[cyclopropyl(2-methylpropyl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[cyclopropyl(2-methylpropyl)amino]methyl]furan-3-carboxylic acid is CC(C)CN(Cc1cc(C(=O)O)co1)C1CC1.
What is the InChIKey of 5-[[cyclopropyl(2-methylpropyl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is ZDNNJLOEGHNHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(2)6-14(11-3-4-11)7-12-5-10(8-17-12)13(15)16/h5,8-9,11H,3-4,6-7H2,1-2H3,(H,15,16).
What are the key properties of 5-[[cyclopropyl(2-methylpropyl)amino]methyl]furan-3-carboxylic acid?
5-[[cyclopropyl(2-methylpropyl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl(2-methylpropyl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 62267649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).