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

C13H19NO4 — CID 935227

IUPAC4-(morpholin-4-ylmethyl)-5-propylfuran-2-carboxylic acid
SMILESCCCc1oc(C(=O)O)cc1CN1CCOCC1
InChIInChI=1S/C13H19NO4/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)
InChIKeyYGFYCKVYNCRJHA-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.76
Rot. Bonds5

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

4-(morpholin-4-ylmethyl)-5-propylfuran-2-carboxylic acid (PubChem CID 935227) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)-5-propylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)-5-propylfuran-2-carboxylic acid
PubChem CID935227
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name4-(morpholin-4-ylmethyl)-5-propylfuran-2-carboxylic acid
SMILESCCCc1oc(C(=O)O)cc1CN1CCOCC1
InChIInChI=1S/C13H19NO4/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)
InChIKeyYGFYCKVYNCRJHA-UHFFFAOYSA-N
XLogP1.76
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylmethyl)-5-propylfuran-2-carboxylic acid?
The IUPAC name of 4-(morpholin-4-ylmethyl)-5-propylfuran-2-carboxylic acid (CID 935227) is 4-(morpholin-4-ylmethyl)-5-propylfuran-2-carboxylic acid.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)-5-propylfuran-2-carboxylic acid?
The canonical SMILES for 4-(morpholin-4-ylmethyl)-5-propylfuran-2-carboxylic acid is CCCc1oc(C(=O)O)cc1CN1CCOCC1.
What is the InChIKey of 4-(morpholin-4-ylmethyl)-5-propylfuran-2-carboxylic acid?
The InChIKey is YGFYCKVYNCRJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/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).
What are the key properties of 4-(morpholin-4-ylmethyl)-5-propylfuran-2-carboxylic acid?
4-(morpholin-4-ylmethyl)-5-propylfuran-2-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 1.76, 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 is sourced from PubChem (CID 935227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).