3-(4-morpholin-4-ylbutan-2-yloxy)thiophene-2-carboxylic acid

C13H19NO4S — CID 82037741

IUPAC3-(4-morpholin-4-ylbutan-2-yloxy)thiophene-2-carboxylic acid
SMILESCC(CCN1CCOCC1)Oc1ccsc1C(=O)O
InChIInChI=1S/C13H19NO4S/c1-10(2-4-14-5-7-17-8-6-14)18-11-3-9-19-12(11)13(15)16/h3,9-10H,2,4-8H2,1H3,(H,15,16)
InChIKeyZNWMPDRNFUHMAK-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.94
Rot. Bonds6

About 3-(4-morpholin-4-ylbutan-2-yloxy)thiophene-2-carboxylic acid

3-(4-morpholin-4-ylbutan-2-yloxy)thiophene-2-carboxylic acid (PubChem CID 82037741) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylbutan-2-yloxy)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-morpholin-4-ylbutan-2-yloxy)thiophene-2-carboxylic acid
PubChem CID82037741
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC Name3-(4-morpholin-4-ylbutan-2-yloxy)thiophene-2-carboxylic acid
SMILESCC(CCN1CCOCC1)Oc1ccsc1C(=O)O
InChIInChI=1S/C13H19NO4S/c1-10(2-4-14-5-7-17-8-6-14)18-11-3-9-19-12(11)13(15)16/h3,9-10H,2,4-8H2,1H3,(H,15,16)
InChIKeyZNWMPDRNFUHMAK-UHFFFAOYSA-N
XLogP1.94
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-morpholin-4-ylbutan-2-yloxy)aniline
CID 82036952
4-morpholin-4-ylbutan-2-yl 4-phenyloxane-4-carboxylate;hydrochloride
CID 126961345
3-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 68502987
3-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]oxythiophene-2-carboxylic acid
CID 55200795
3-morpholin-4-ylthiophene-2-carboxylic acid;hydrochloride
CID 142792123
3-tri(propan-2-yl)silyloxythiophene-2-carboxylic acid
CID 69277085
3-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl-methylamino]-2-methylpropanoic acid
CID 122047210
4-[3-(3-methoxyphenoxy)-3-phenylpropyl]morpholine
CID 3074452
4-methyl-6-morpholin-4-ylhexan-3-one
CID 79416722
2-methyl-5-morpholin-4-ylpentanoic acid
CID 20751269
2-methyl-4-morpholin-4-ylbutanoate;hydrochloride
CID 23621496
3-(3-aminoprop-1-ynyl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 63801611

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylbutan-2-yloxy)thiophene-2-carboxylic acid?
The IUPAC name of 3-(4-morpholin-4-ylbutan-2-yloxy)thiophene-2-carboxylic acid (CID 82037741) is 3-(4-morpholin-4-ylbutan-2-yloxy)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(4-morpholin-4-ylbutan-2-yloxy)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(4-morpholin-4-ylbutan-2-yloxy)thiophene-2-carboxylic acid is CC(CCN1CCOCC1)Oc1ccsc1C(=O)O.
What is the InChIKey of 3-(4-morpholin-4-ylbutan-2-yloxy)thiophene-2-carboxylic acid?
The InChIKey is ZNWMPDRNFUHMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-10(2-4-14-5-7-17-8-6-14)18-11-3-9-19-12(11)13(15)16/h3,9-10H,2,4-8H2,1H3,(H,15,16).
What are the key properties of 3-(4-morpholin-4-ylbutan-2-yloxy)thiophene-2-carboxylic acid?
3-(4-morpholin-4-ylbutan-2-yloxy)thiophene-2-carboxylic acid has a molecular weight of 285.36 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylbutan-2-yloxy)thiophene-2-carboxylic acid is sourced from PubChem (CID 82037741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).