2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid

C13H17NO4S — CID 66421747

IUPAC2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)CCc2cccs2)CCO1
InChIInChI=1S/C13H17NO4S/c15-12(4-3-11-2-1-7-19-11)14-5-6-18-10(9-14)8-13(16)17/h1-2,7,10H,3-6,8-9H2,(H,16,17)
InChIKeyCXECTQGOUFJZSD-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.38
Rot. Bonds5

About 2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid

2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid (PubChem CID 66421747) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid
PubChem CID66421747
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)CCc2cccs2)CCO1
InChIInChI=1S/C13H17NO4S/c15-12(4-3-11-2-1-7-19-11)14-5-6-18-10(9-14)8-13(16)17/h1-2,7,10H,3-6,8-9H2,(H,16,17)
InChIKeyCXECTQGOUFJZSD-UHFFFAOYSA-N
XLogP1.38
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
2-[4-[3-(1,3-thiazol-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 119248715
2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421346
2-[(2S)-4-[3-(4-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 124702416
1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124986253
2-[4-(3-thiophen-2-ylprop-2-enoyl)morpholin-2-yl]acetic acid
CID 77133331
1-[2-(2-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 110363977
1-(2-methylmorpholin-4-yl)-4-thiophen-2-ylbutan-1-one
CID 47016281
2-[4-[3-(2,4-dimethylphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248342
1-[2-(4-ethylphenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 110364040
2-[(2R)-4-[3-(1-benzofuran-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 125150468
1-(1,3-oxazolidin-3-yl)-3-thiophen-2-ylpropan-1-one
CID 110740009

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid (CID 66421747) is 2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)CCc2cccs2)CCO1.
What is the InChIKey of 2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid?
The InChIKey is CXECTQGOUFJZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c15-12(4-3-11-2-1-7-19-11)14-5-6-18-10(9-14)8-13(16)17/h1-2,7,10H,3-6,8-9H2,(H,16,17).
What are the key properties of 2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid?
2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid has a molecular weight of 283.35 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66421747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).