4-(aminomethyl)-5-(2-methylpropyl)furan-2-carboxylic acid;hydrochloride

C10H16ClNO3 — CID 11948902

IUPAC4-(aminomethyl)-5-(2-methylpropyl)furan-2-carboxylic acid;hydrochloride
SMILESCC(C)Cc1oc(C(=O)O)cc1CN.Cl
InChIInChI=1S/C10H15NO3.ClH/c1-6(2)3-8-7(5-11)4-9(14-8)10(12)13;/h4,6H,3,5,11H2,1-2H3,(H,12,13);1H
InChIKeyMJCUEPRJBTXJLI-UHFFFAOYSA-N
MW233.69 g/mol
LogP2.06
Rot. Bonds4

About 4-(aminomethyl)-5-(2-methylpropyl)furan-2-carboxylic acid;hydrochloride

4-(aminomethyl)-5-(2-methylpropyl)furan-2-carboxylic acid;hydrochloride (PubChem CID 11948902) has the molecular formula C10H16ClNO3 and a molecular weight of 233.69 g/mol. Its IUPAC name is 4-(aminomethyl)-5-(2-methylpropyl)furan-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-5-(2-methylpropyl)furan-2-carboxylic acid;hydrochloride
PubChem CID11948902
Molecular FormulaC10H16ClNO3
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC Name4-(aminomethyl)-5-(2-methylpropyl)furan-2-carboxylic acid;hydrochloride
SMILESCC(C)Cc1oc(C(=O)O)cc1CN.Cl
InChIInChI=1S/C10H15NO3.ClH/c1-6(2)3-8-7(5-11)4-9(14-8)10(12)13;/h4,6H,3,5,11H2,1-2H3,(H,12,13);1H
InChIKeyMJCUEPRJBTXJLI-UHFFFAOYSA-N
XLogP2.06
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-(2-methylpropyl)furan-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-(aminomethyl)-5-(2-methylpropyl)furan-2-carboxylic acid;hydrochloride (CID 11948902) is 4-(aminomethyl)-5-(2-methylpropyl)furan-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-5-(2-methylpropyl)furan-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-5-(2-methylpropyl)furan-2-carboxylic acid;hydrochloride is CC(C)Cc1oc(C(=O)O)cc1CN.Cl.
What is the InChIKey of 4-(aminomethyl)-5-(2-methylpropyl)furan-2-carboxylic acid;hydrochloride?
The InChIKey is MJCUEPRJBTXJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3.ClH/c1-6(2)3-8-7(5-11)4-9(14-8)10(12)13;/h4,6H,3,5,11H2,1-2H3,(H,12,13);1H.
What are the key properties of 4-(aminomethyl)-5-(2-methylpropyl)furan-2-carboxylic acid;hydrochloride?
4-(aminomethyl)-5-(2-methylpropyl)furan-2-carboxylic acid;hydrochloride has a molecular weight of 233.69 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-(2-methylpropyl)furan-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 11948902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).