4-(5-bromo-4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid

C11H12BrNO5S — CID 120521719

IUPAC4-(5-bromo-4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid
SMILESCOc1cc(C(=O)N2CCOCC2C(=O)O)sc1Br
InChIInChI=1S/C11H12BrNO5S/c1-17-7-4-8(19-9(7)12)10(14)13-2-3-18-5-6(13)11(15)16/h4,6H,2-3,5H2,1H3,(H,15,16)
InChIKeyMTOFCERBHCGQMB-UHFFFAOYSA-N
MW350.19 g/mol
LogP1.44
Rot. Bonds3

About 4-(5-bromo-4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid

4-(5-bromo-4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid (PubChem CID 120521719) has the molecular formula C11H12BrNO5S and a molecular weight of 350.19 g/mol. Its IUPAC name is 4-(5-bromo-4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(5-bromo-4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid
PubChem CID120521719
Molecular FormulaC11H12BrNO5S
Molecular Weight350.19 g/mol
Exact Mass348.96
IUPAC Name4-(5-bromo-4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid
SMILESCOc1cc(C(=O)N2CCOCC2C(=O)O)sc1Br
InChIInChI=1S/C11H12BrNO5S/c1-17-7-4-8(19-9(7)12)10(14)13-2-3-18-5-6(13)11(15)16/h4,6H,2-3,5H2,1H3,(H,15,16)
InChIKeyMTOFCERBHCGQMB-UHFFFAOYSA-N
XLogP1.44
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-4-(4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124596115
4-(4,5-dibromothiophene-2-carbonyl)-N-methylmorpholine-3-carboxamide
CID 83099962
(3S)-4-(4-ethyl-5-propylthiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513410
(3R)-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513461
(3S)-4-(5-chlorothiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513737
(2S)-1-(5-bromo-4-methylthiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 79982145
4-(3-bromo-5-methylbenzoyl)morpholine-3-carboxylic acid
CID 113460502
(3R)-4-(5-bromofuran-3-carbonyl)morpholine-3-carboxylic acid
CID 125118869
(3S)-4-(2-propyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
CID 125119497
methyl 4-(5-ethyl-4-methylthiophene-2-carbonyl)morpholine-3-carboxylate
CID 115670080
4-(3,5-dihydroxybenzoyl)morpholine-3-carboxylic acid
CID 107702659
(3S)-4-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]morpholine-3-carboxylic acid
CID 125133250

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(5-bromo-4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid (CID 120521719) is 4-(5-bromo-4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(5-bromo-4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(5-bromo-4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid is COc1cc(C(=O)N2CCOCC2C(=O)O)sc1Br.
What is the InChIKey of 4-(5-bromo-4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid?
The InChIKey is MTOFCERBHCGQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO5S/c1-17-7-4-8(19-9(7)12)10(14)13-2-3-18-5-6(13)11(15)16/h4,6H,2-3,5H2,1H3,(H,15,16).
What are the key properties of 4-(5-bromo-4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid?
4-(5-bromo-4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid has a molecular weight of 350.19 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 120521719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).