5-[1-(2-ethylmorpholin-4-yl)ethyl]furan-2-carboxylic acid

C13H19NO4 — CID 79083918

IUPAC5-[1-(2-ethylmorpholin-4-yl)ethyl]furan-2-carboxylic acid
SMILESCCC1CN(C(C)c2ccc(C(=O)O)o2)CCO1
InChIInChI=1S/C13H19NO4/c1-3-10-8-14(6-7-17-10)9(2)11-4-5-12(18-11)13(15)16/h4-5,9-10H,3,6-8H2,1-2H3,(H,15,16)
InChIKeyBDBIGUZNDVCQIU-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.15
Rot. Bonds4

About 5-[1-(2-ethylmorpholin-4-yl)ethyl]furan-2-carboxylic acid

5-[1-(2-ethylmorpholin-4-yl)ethyl]furan-2-carboxylic acid (PubChem CID 79083918) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-[1-(2-ethylmorpholin-4-yl)ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(2-ethylmorpholin-4-yl)ethyl]furan-2-carboxylic acid
PubChem CID79083918
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name5-[1-(2-ethylmorpholin-4-yl)ethyl]furan-2-carboxylic acid
SMILESCCC1CN(C(C)c2ccc(C(=O)O)o2)CCO1
InChIInChI=1S/C13H19NO4/c1-3-10-8-14(6-7-17-10)9(2)11-4-5-12(18-11)13(15)16/h4-5,9-10H,3,6-8H2,1-2H3,(H,15,16)
InChIKeyBDBIGUZNDVCQIU-UHFFFAOYSA-N
XLogP2.15
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[2-(hydroxymethyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid
CID 81204459
2-[1-(2-ethylmorpholin-4-yl)ethyl]phenol
CID 82976721
5-[1-(3-ethoxypiperidin-1-yl)ethyl]furan-2-carboxylic acid
CID 79090059
5-[1-(3-hydroxypiperidin-1-yl)ethyl]furan-2-carboxylic acid
CID 79083924
5-[1-(3-methoxypyrrolidin-1-yl)ethyl]furan-2-carboxylic acid
CID 103535178
5-[1-(5-ethyl-2-methylpiperidin-1-yl)ethyl]furan-2-carboxylic acid
CID 112734478
N-[4-(aminomethyl)phenyl]-2-(2-ethylmorpholin-4-yl)propanamide
CID 43562386
2-[1-(2-ethylmorpholin-4-yl)ethyl]-5-methylphenol
CID 82976718
1-(4-ethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81204702
2-(2-ethylmorpholin-4-yl)-N-methyl-2-phenylethanamine
CID 62433539
2-(2-ethylmorpholin-4-yl)-1-phenylpropan-1-amine
CID 43562634
2-[4-(1-pyridin-2-ylethyl)morpholin-2-yl]acetic acid
CID 66435102

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-ethylmorpholin-4-yl)ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-(2-ethylmorpholin-4-yl)ethyl]furan-2-carboxylic acid (CID 79083918) is 5-[1-(2-ethylmorpholin-4-yl)ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-(2-ethylmorpholin-4-yl)ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-(2-ethylmorpholin-4-yl)ethyl]furan-2-carboxylic acid is CCC1CN(C(C)c2ccc(C(=O)O)o2)CCO1.
What is the InChIKey of 5-[1-(2-ethylmorpholin-4-yl)ethyl]furan-2-carboxylic acid?
The InChIKey is BDBIGUZNDVCQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-3-10-8-14(6-7-17-10)9(2)11-4-5-12(18-11)13(15)16/h4-5,9-10H,3,6-8H2,1-2H3,(H,15,16).
What are the key properties of 5-[1-(2-ethylmorpholin-4-yl)ethyl]furan-2-carboxylic acid?
5-[1-(2-ethylmorpholin-4-yl)ethyl]furan-2-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-ethylmorpholin-4-yl)ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 79083918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).