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

C11H13NO4S — CID 66421346

IUPAC2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2cccs2)CCO1
InChIInChI=1S/C11H13NO4S/c13-10(14)6-8-7-12(3-4-16-8)11(15)9-2-1-5-17-9/h1-2,5,8H,3-4,6-7H2,(H,13,14)
InChIKeyBTVRMXSLGTWCQV-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.06
Rot. Bonds3

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

2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 66421346) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid
PubChem CID66421346
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2cccs2)CCO1
InChIInChI=1S/C11H13NO4S/c13-10(14)6-8-7-12(3-4-16-8)11(15)9-2-1-5-17-9/h1-2,5,8H,3-4,6-7H2,(H,13,14)
InChIKeyBTVRMXSLGTWCQV-UHFFFAOYSA-N
XLogP1.06
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 42245309
2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid
CID 66421747
2-[4-(3-thiophen-2-ylprop-2-enoyl)morpholin-2-yl]acetic acid
CID 77133331
[2-(morpholin-4-ylsulfonylmethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 126822086
2-[4-(5-ethylthiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421949
2-[4-(1-thiophen-2-ylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66436008
2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid
CID 62690225
2-[(2S)-4-(3-propan-2-ylthiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 124682778
[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 124986519
[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 124986520
2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
2-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]morpholin-2-yl]acetic acid
CID 120527535

Frequently Asked Questions

What is the IUPAC name of 2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid (CID 66421346) is 2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)c2cccs2)CCO1.
What is the InChIKey of 2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is BTVRMXSLGTWCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S/c13-10(14)6-8-7-12(3-4-16-8)11(15)9-2-1-5-17-9/h1-2,5,8H,3-4,6-7H2,(H,13,14).
What are the key properties of 2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid?
2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 255.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66421346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).