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

C14H21NO4 — CID 651170

IUPAC5-tert-butyl-3-(morpholin-4-ylmethyl)furan-2-carboxylic acid
SMILESCC(C)(C)c1cc(CN2CCOCC2)c(C(=O)O)o1
InChIInChI=1S/C14H21NO4/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)
InChIKeyBEKYORJUKBFBMO-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.11
Rot. Bonds3

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

5-tert-butyl-3-(morpholin-4-ylmethyl)furan-2-carboxylic acid (PubChem CID 651170) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 5-tert-butyl-3-(morpholin-4-ylmethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-tert-butyl-3-(morpholin-4-ylmethyl)furan-2-carboxylic acid
PubChem CID651170
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name5-tert-butyl-3-(morpholin-4-ylmethyl)furan-2-carboxylic acid
SMILESCC(C)(C)c1cc(CN2CCOCC2)c(C(=O)O)o1
InChIInChI=1S/C14H21NO4/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)
InChIKeyBEKYORJUKBFBMO-UHFFFAOYSA-N
XLogP2.11
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.11
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?
The IUPAC name of 5-tert-butyl-3-(morpholin-4-ylmethyl)furan-2-carboxylic acid (CID 651170) is 5-tert-butyl-3-(morpholin-4-ylmethyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-tert-butyl-3-(morpholin-4-ylmethyl)furan-2-carboxylic acid?
The canonical SMILES for 5-tert-butyl-3-(morpholin-4-ylmethyl)furan-2-carboxylic acid is CC(C)(C)c1cc(CN2CCOCC2)c(C(=O)O)o1.
What is the InChIKey of 5-tert-butyl-3-(morpholin-4-ylmethyl)furan-2-carboxylic acid?
The InChIKey is BEKYORJUKBFBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/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).
What are the key properties of 5-tert-butyl-3-(morpholin-4-ylmethyl)furan-2-carboxylic acid?
5-tert-butyl-3-(morpholin-4-ylmethyl)furan-2-carboxylic acid has a molecular weight of 267.32 g/mol, XLogP of 2.11, 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 is sourced from PubChem (CID 651170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).