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

C10H14ClNO4 — CID 5331361

IUPAC5-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc(CN2CCOCC2)o1
InChIInChI=1S/C10H13NO4.ClH/c12-10(13)9-2-1-8(15-9)7-11-3-5-14-6-4-11;/h1-2H,3-7H2,(H,12,13);1H
InChIKeyGEBQZDRKYOTBFF-UHFFFAOYSA-N
MW247.68 g/mol
LogP1.23
Rot. Bonds3

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

5-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride (PubChem CID 5331361) has the molecular formula C10H14ClNO4 and a molecular weight of 247.68 g/mol. Its IUPAC name is 5-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride
PubChem CID5331361
Molecular FormulaC10H14ClNO4
Molecular Weight247.68 g/mol
Exact Mass247.06
IUPAC Name5-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc(CN2CCOCC2)o1
InChIInChI=1S/C10H13NO4.ClH/c12-10(13)9-2-1-8(15-9)7-11-3-5-14-6-4-11;/h1-2H,3-7H2,(H,12,13);1H
InChIKeyGEBQZDRKYOTBFF-UHFFFAOYSA-N
XLogP1.23
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride?
The IUPAC name of 5-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride (CID 5331361) is 5-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride?
The canonical SMILES for 5-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccc(CN2CCOCC2)o1.
What is the InChIKey of 5-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride?
The InChIKey is GEBQZDRKYOTBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4.ClH/c12-10(13)9-2-1-8(15-9)7-11-3-5-14-6-4-11;/h1-2H,3-7H2,(H,12,13);1H.
What are the key properties of 5-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride?
5-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride has a molecular weight of 247.68 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 5331361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).