2-[4-(5-ethylthiophene-2-carbonyl)morpholin-2-yl]acetic acid

C13H17NO4S — CID 66421949

IUPAC2-[4-(5-ethylthiophene-2-carbonyl)morpholin-2-yl]acetic acid
SMILESCCc1ccc(C(=O)N2CCOC(CC(=O)O)C2)s1
InChIInChI=1S/C13H17NO4S/c1-2-10-3-4-11(19-10)13(17)14-5-6-18-9(8-14)7-12(15)16/h3-4,9H,2,5-8H2,1H3,(H,15,16)
InChIKeyZUGDELJUVJEMGK-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.63
Rot. Bonds4

About 2-[4-(5-ethylthiophene-2-carbonyl)morpholin-2-yl]acetic acid

2-[4-(5-ethylthiophene-2-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 66421949) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[4-(5-ethylthiophene-2-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-ethylthiophene-2-carbonyl)morpholin-2-yl]acetic acid
PubChem CID66421949
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name2-[4-(5-ethylthiophene-2-carbonyl)morpholin-2-yl]acetic acid
SMILESCCc1ccc(C(=O)N2CCOC(CC(=O)O)C2)s1
InChIInChI=1S/C13H17NO4S/c1-2-10-3-4-11(19-10)13(17)14-5-6-18-9(8-14)7-12(15)16/h3-4,9H,2,5-8H2,1H3,(H,15,16)
InChIKeyZUGDELJUVJEMGK-UHFFFAOYSA-N
XLogP1.63
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421346
2-[4-(2-ethylsulfonylbenzoyl)morpholin-2-yl]acetic acid
CID 119248776
2-[(2S)-4-(3-methyl-1-benzothiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 124697788
(3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone
CID 62067194
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 43355865
2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 119248876
2-[4-(4,5-diethylfuran-2-carbonyl)morpholin-2-yl]acetic acid
CID 120687888
2-[4-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]morpholin-2-yl]acetic acid
CID 120527598
[2-(bromomethyl)morpholin-4-yl]-(5-bromothiophen-2-yl)methanone
CID 81211705
(5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224288
2-[4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 120527656

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethylthiophene-2-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(5-ethylthiophene-2-carbonyl)morpholin-2-yl]acetic acid (CID 66421949) is 2-[4-(5-ethylthiophene-2-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(5-ethylthiophene-2-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(5-ethylthiophene-2-carbonyl)morpholin-2-yl]acetic acid is CCc1ccc(C(=O)N2CCOC(CC(=O)O)C2)s1.
What is the InChIKey of 2-[4-(5-ethylthiophene-2-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is ZUGDELJUVJEMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-2-10-3-4-11(19-10)13(17)14-5-6-18-9(8-14)7-12(15)16/h3-4,9H,2,5-8H2,1H3,(H,15,16).
What are the key properties of 2-[4-(5-ethylthiophene-2-carbonyl)morpholin-2-yl]acetic acid?
2-[4-(5-ethylthiophene-2-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 283.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethylthiophene-2-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66421949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).