4-(morpholin-4-ylmethyl)-5-propylfuran-2-carboxylic acid;hydrochloride

C13H20ClNO4 — CID 2968710

IUPAC4-(morpholin-4-ylmethyl)-5-propylfuran-2-carboxylic acid;hydrochloride
SMILESCCCc1oc(C(=O)O)cc1CN1CCOCC1.Cl
InChIInChI=1S/C13H19NO4.ClH/c1-2-3-11-10(8-12(18-11)13(15)16)9-14-4-6-17-7-5-14;/h8H,2-7,9H2,1H3,(H,15,16);1H
InChIKeyHVEPORYTMFMNAO-UHFFFAOYSA-N
MW289.76 g/mol
LogP2.18
Rot. Bonds5

About 4-(morpholin-4-ylmethyl)-5-propylfuran-2-carboxylic acid;hydrochloride

4-(morpholin-4-ylmethyl)-5-propylfuran-2-carboxylic acid;hydrochloride (PubChem CID 2968710) has the molecular formula C13H20ClNO4 and a molecular weight of 289.76 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)-5-propylfuran-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)-5-propylfuran-2-carboxylic acid;hydrochloride
PubChem CID2968710
Molecular FormulaC13H20ClNO4
Molecular Weight289.76 g/mol
Exact Mass289.11
IUPAC Name4-(morpholin-4-ylmethyl)-5-propylfuran-2-carboxylic acid;hydrochloride
SMILESCCCc1oc(C(=O)O)cc1CN1CCOCC1.Cl
InChIInChI=1S/C13H19NO4.ClH/c1-2-3-11-10(8-12(18-11)13(15)16)9-14-4-6-17-7-5-14;/h8H,2-7,9H2,1H3,(H,15,16);1H
InChIKeyHVEPORYTMFMNAO-UHFFFAOYSA-N
XLogP2.18
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Morpholin-4-ylmethyl-furan-2-carboxylic acid
CID 580530
5-((Piperidin-1-yl)methyl)furan-2-carboxylic acid hydrochloride
CID 2836318
5-(Piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 653379
3-Morpholin-4-ylmethyl-benzofuran-2-carboxylic acid ethyl ester
CID 6603178
5-((Morpholin-4-yl)methyl)furan-2-carboxylic acid hydrochloride
CID 5331361
4-Aminomethyl-5-isobutyl-furan-2-carboxylic acid
CID 11948902
Ethyl 4-benzyl-1-{[5-(methoxymethyl)-2-furyl]methyl}-4-piperidinecarboxylate
CID 16188666
5-(2-Methylpropyl)-4-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride
CID 16195050
5-Propyl-4-pyrrolidin-1-ylmethyl-furan-2-carboxylic acid hydrochloride
CID 2967736
5-tert-Butyl-3-morpholin-4-ylmethyl-furan-2-carboxylic acid
CID 2942788
4-(Aminomethyl)-5-propylfuran-2-carboxylic acid hydrochloride
CID 2967417
4-Diethylaminomethyl-5-ethyl-furan-2-carboxylic acid hydrochloride
CID 6603152

Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylmethyl)-5-propylfuran-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-(morpholin-4-ylmethyl)-5-propylfuran-2-carboxylic acid;hydrochloride (CID 2968710) is 4-(morpholin-4-ylmethyl)-5-propylfuran-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)-5-propylfuran-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(morpholin-4-ylmethyl)-5-propylfuran-2-carboxylic acid;hydrochloride is CCCc1oc(C(=O)O)cc1CN1CCOCC1.Cl.
What is the InChIKey of 4-(morpholin-4-ylmethyl)-5-propylfuran-2-carboxylic acid;hydrochloride?
The InChIKey is HVEPORYTMFMNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4.ClH/c1-2-3-11-10(8-12(18-11)13(15)16)9-14-4-6-17-7-5-14;/h8H,2-7,9H2,1H3,(H,15,16);1H.
What are the key properties of 4-(morpholin-4-ylmethyl)-5-propylfuran-2-carboxylic acid;hydrochloride?
4-(morpholin-4-ylmethyl)-5-propylfuran-2-carboxylic acid;hydrochloride has a molecular weight of 289.76 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethyl)-5-propylfuran-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 2968710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).