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

C14H22ClNO4 — CID 2942788

IUPAC5-tert-butyl-3-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride
SMILESCC(C)(C)c1cc(CN2CCOCC2)c(C(=O)O)o1.Cl
InChIInChI=1S/C14H21NO4.ClH/c1-14(2,3)11-8-10(12(19-11)13(16)17)9-15-4-6-18-7-5-15;/h8H,4-7,9H2,1-3H3,(H,16,17);1H
InChIKeyVRBXJKDHNVNEET-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.53
Rot. Bonds3

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

5-tert-butyl-3-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride (PubChem CID 2942788) has the molecular formula C14H22ClNO4 and a molecular weight of 303.79 g/mol. Its IUPAC name is 5-tert-butyl-3-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-tert-butyl-3-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride
PubChem CID2942788
Molecular FormulaC14H22ClNO4
Molecular Weight303.79 g/mol
Exact Mass303.12
IUPAC Name5-tert-butyl-3-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride
SMILESCC(C)(C)c1cc(CN2CCOCC2)c(C(=O)O)o1.Cl
InChIInChI=1S/C14H21NO4.ClH/c1-14(2,3)11-8-10(12(19-11)13(16)17)9-15-4-6-18-7-5-15;/h8H,4-7,9H2,1-3H3,(H,16,17);1H
InChIKeyVRBXJKDHNVNEET-UHFFFAOYSA-N
XLogP2.53
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride?
The IUPAC name of 5-tert-butyl-3-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride (CID 2942788) is 5-tert-butyl-3-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-tert-butyl-3-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride?
The canonical SMILES for 5-tert-butyl-3-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride is CC(C)(C)c1cc(CN2CCOCC2)c(C(=O)O)o1.Cl.
What is the InChIKey of 5-tert-butyl-3-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride?
The InChIKey is VRBXJKDHNVNEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4.ClH/c1-14(2,3)11-8-10(12(19-11)13(16)17)9-15-4-6-18-7-5-15;/h8H,4-7,9H2,1-3H3,(H,16,17);1H.
What are the key properties of 5-tert-butyl-3-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride?
5-tert-butyl-3-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride has a molecular weight of 303.79 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 2942788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).