2-methyl-5-(2-methylpropyl)-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid;hydrochloride

C15H24ClNO4 — CID 2931543

IUPAC2-methyl-5-(2-methylpropyl)-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid;hydrochloride
SMILESCc1oc(CC(C)C)c(CN2CCOCC2)c1C(=O)O.Cl
InChIInChI=1S/C15H23NO4.ClH/c1-10(2)8-13-12(9-16-4-6-19-7-5-16)14(15(17)18)11(3)20-13;/h10H,4-9H2,1-3H3,(H,17,18);1H
InChIKeyFLMROKNOHPWLID-UHFFFAOYSA-N
MW317.81 g/mol
LogP2.74
Rot. Bonds5

About 2-methyl-5-(2-methylpropyl)-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid;hydrochloride

2-methyl-5-(2-methylpropyl)-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid;hydrochloride (PubChem CID 2931543) has the molecular formula C15H24ClNO4 and a molecular weight of 317.81 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpropyl)-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-methyl-5-(2-methylpropyl)-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid;hydrochloride
PubChem CID2931543
Molecular FormulaC15H24ClNO4
Molecular Weight317.81 g/mol
Exact Mass317.14
IUPAC Name2-methyl-5-(2-methylpropyl)-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid;hydrochloride
SMILESCc1oc(CC(C)C)c(CN2CCOCC2)c1C(=O)O.Cl
InChIInChI=1S/C15H23NO4.ClH/c1-10(2)8-13-12(9-16-4-6-19-7-5-16)14(15(17)18)11(3)20-13;/h10H,4-9H2,1-3H3,(H,17,18);1H
InChIKeyFLMROKNOHPWLID-UHFFFAOYSA-N
XLogP2.74
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.81
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Isobutyl-2-methyl-4-pyrrolidin-1-ylmethyl-furan-3-carboxylic acid hydrochloride
CID 2931068
5-Tert-butyl-2-methyl-4-morpholin-4-ylmethyl-furan-3-carboxylic acid hydrochloride
CID 2932104
4-Aminomethyl-5-isobutyl-2-methyl-furan-3-carboxylic acid hydrochloride
CID 2950061
5-tert-Butyl-2-methyl-4-morpholin-4-ylmethyl-furan-3-carboxylic acid
CID 672005
4-Diethylaminomethyl-5-isobutyl-2-methyl-furan-3-carboxylic acid hydrochloride
CID 2933447
4-Diethylaminomethyl-5-isobutyl-2-methyl-furan-3-carboxylic acid
CID 769123
5-Tert-butyl-2-methyl-4-pyrrolidin-1-ylmethyl-furan-3-carboxylic acid hydrochloride
CID 6603572
5-tert-Butyl-2-methyl-4-pyrrolidin-1-ylmethyl-furan-3-carboxylic acid
CID 645233
5-Isobutyl-2-methyl-4-pyrrolidin-1-ylmethyl-furan-3-carboxylic acid
CID 645606
5-Isobutyl-2-methyl-4-morpholin-4-ylmethyl-furan-3-carboxylic acid
CID 784896
2-Methyl-5-(2-methylpropyl)-4-(piperidin-1-ylmethyl)furan-3-carboxylic acid
CID 778069
5-(tert-Butyl)-4-((diethylamino)methyl)-2-methylfuran-3-carboxylic acid
CID 795304

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpropyl)-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid;hydrochloride?
The IUPAC name of 2-methyl-5-(2-methylpropyl)-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid;hydrochloride (CID 2931543) is 2-methyl-5-(2-methylpropyl)-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-methyl-5-(2-methylpropyl)-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid;hydrochloride?
The canonical SMILES for 2-methyl-5-(2-methylpropyl)-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid;hydrochloride is Cc1oc(CC(C)C)c(CN2CCOCC2)c1C(=O)O.Cl.
What is the InChIKey of 2-methyl-5-(2-methylpropyl)-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid;hydrochloride?
The InChIKey is FLMROKNOHPWLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4.ClH/c1-10(2)8-13-12(9-16-4-6-19-7-5-16)14(15(17)18)11(3)20-13;/h10H,4-9H2,1-3H3,(H,17,18);1H.
What are the key properties of 2-methyl-5-(2-methylpropyl)-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid;hydrochloride?
2-methyl-5-(2-methylpropyl)-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid;hydrochloride has a molecular weight of 317.81 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylpropyl)-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 2931543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).