2-[(3-ethylmorpholin-4-yl)methyl]furan-3-carboxylic acid

C12H17NO4 — CID 43613412

IUPAC2-[(3-ethylmorpholin-4-yl)methyl]furan-3-carboxylic acid
SMILESCCC1COCCN1Cc1occc1C(=O)O
InChIInChI=1S/C12H17NO4/c1-2-9-8-16-6-4-13(9)7-11-10(12(14)15)3-5-17-11/h3,5,9H,2,4,6-8H2,1H3,(H,14,15)
InChIKeyWQMOZLRHTOGLEQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.59
Rot. Bonds4

About 2-[(3-ethylmorpholin-4-yl)methyl]furan-3-carboxylic acid

2-[(3-ethylmorpholin-4-yl)methyl]furan-3-carboxylic acid (PubChem CID 43613412) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[(3-ethylmorpholin-4-yl)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-ethylmorpholin-4-yl)methyl]furan-3-carboxylic acid
PubChem CID43613412
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-[(3-ethylmorpholin-4-yl)methyl]furan-3-carboxylic acid
SMILESCCC1COCCN1Cc1occc1C(=O)O
InChIInChI=1S/C12H17NO4/c1-2-9-8-16-6-4-13(9)7-11-10(12(14)15)3-5-17-11/h3,5,9H,2,4,6-8H2,1H3,(H,14,15)
InChIKeyWQMOZLRHTOGLEQ-UHFFFAOYSA-N
XLogP1.59
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3-ethylmorpholin-4-yl)methyl]furan-3-yl]-N-methylmethanamine
CID 55134466
2-[(3-ethylmorpholin-4-yl)methyl]-4-fluorobenzoic acid
CID 114014611
4-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzoic acid
CID 106793496
(3S)-4-benzyl-3-ethylmorpholine
CID 54501252
2-[(2-ethyl-3-oxopiperazin-1-yl)methyl]furan-3-carboxylic acid
CID 63600974
2-[(2,4-dimethylpiperidin-1-yl)methyl]furan-3-carboxylic acid
CID 62332325
3-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]prop-2-enoic acid
CID 76909426
N-[[5-[(3-ethylmorpholin-4-yl)methyl]furan-2-yl]methyl]ethanamine
CID 62432573
5-[(3-ethylmorpholin-4-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65295011
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid
CID 43628353
2-[(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)methyl]furan-3-carboxylic acid
CID 114512897
2-[(3-ethylmorpholin-4-yl)methyl]-2-methylbutanoic acid
CID 62272323

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylmorpholin-4-yl)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[(3-ethylmorpholin-4-yl)methyl]furan-3-carboxylic acid (CID 43613412) is 2-[(3-ethylmorpholin-4-yl)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[(3-ethylmorpholin-4-yl)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[(3-ethylmorpholin-4-yl)methyl]furan-3-carboxylic acid is CCC1COCCN1Cc1occc1C(=O)O.
What is the InChIKey of 2-[(3-ethylmorpholin-4-yl)methyl]furan-3-carboxylic acid?
The InChIKey is WQMOZLRHTOGLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-2-9-8-16-6-4-13(9)7-11-10(12(14)15)3-5-17-11/h3,5,9H,2,4,6-8H2,1H3,(H,14,15).
What are the key properties of 2-[(3-ethylmorpholin-4-yl)methyl]furan-3-carboxylic acid?
2-[(3-ethylmorpholin-4-yl)methyl]furan-3-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylmorpholin-4-yl)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 43613412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).