5-tert-butyl-2-methyl-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid

C15H23NO4 — CID 672005

IUPAC5-tert-butyl-2-methyl-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid
SMILESCc1oc(C(C)(C)C)c(CN2CCOCC2)c1C(=O)O
InChIInChI=1S/C15H23NO4/c1-10-12(14(17)18)11(13(20-10)15(2,3)4)9-16-5-7-19-8-6-16/h5-9H2,1-4H3,(H,17,18)
InChIKeyMUHKFQBTMMESMA-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.42
Rot. Bonds3

About 5-tert-butyl-2-methyl-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid

5-tert-butyl-2-methyl-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid (PubChem CID 672005) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid
PubChem CID672005
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name5-tert-butyl-2-methyl-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid
SMILESCc1oc(C(C)(C)C)c(CN2CCOCC2)c1C(=O)O
InChIInChI=1S/C15H23NO4/c1-10-12(14(17)18)11(13(20-10)15(2,3)4)9-16-5-7-19-8-6-16/h5-9H2,1-4H3,(H,17,18)
InChIKeyMUHKFQBTMMESMA-UHFFFAOYSA-N
XLogP2.42
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Cambridge id 7229598
CID 2931068
5-(Tert-butyl)-2-methyl-4-(morpholinomethyl)furan-3-carboxylic acid hydrochloride
CID 2932104
Cambridge id 7294040
CID 6603658
Cambridge id 7296140
CID 2933447
5-tert-Butyl-2-diethylaminomethyl-furan-3-carboxylic acid
CID 602533
5-tert-Butyl-2-piperidin-1-ylmethyl-furan-3-carboxylic acid
CID 653638
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
5-(Tert-butyl)-2-((diethylamino)methyl)furan-3-carboxylic acid hydrochloride
CID 45074786

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid?
The IUPAC name of 5-tert-butyl-2-methyl-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid (CID 672005) is 5-tert-butyl-2-methyl-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-tert-butyl-2-methyl-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid?
The canonical SMILES for 5-tert-butyl-2-methyl-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid is Cc1oc(C(C)(C)C)c(CN2CCOCC2)c1C(=O)O.
What is the InChIKey of 5-tert-butyl-2-methyl-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid?
The InChIKey is MUHKFQBTMMESMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-10-12(14(17)18)11(13(20-10)15(2,3)4)9-16-5-7-19-8-6-16/h5-9H2,1-4H3,(H,17,18).
What are the key properties of 5-tert-butyl-2-methyl-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid?
5-tert-butyl-2-methyl-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid has a molecular weight of 281.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid is sourced from PubChem (CID 672005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).