2-(4-morpholin-4-ylsulfonylphenyl)propanoic acid

C13H17NO5S — CID 57373716

IUPAC2-(4-morpholin-4-ylsulfonylphenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H17NO5S/c1-10(13(15)16)11-2-4-12(5-3-11)20(17,18)14-6-8-19-9-7-14/h2-5,10H,6-9H2,1H3,(H,15,16)
InChIKeyQQLGCWKURZAZKI-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.90
Rot. Bonds4

About 2-(4-morpholin-4-ylsulfonylphenyl)propanoic acid

2-(4-morpholin-4-ylsulfonylphenyl)propanoic acid (PubChem CID 57373716) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylsulfonylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-morpholin-4-ylsulfonylphenyl)propanoic acid
PubChem CID57373716
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC Name2-(4-morpholin-4-ylsulfonylphenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H17NO5S/c1-10(13(15)16)11-2-4-12(5-3-11)20(17,18)14-6-8-19-9-7-14/h2-5,10H,6-9H2,1H3,(H,15,16)
InChIKeyQQLGCWKURZAZKI-UHFFFAOYSA-N
XLogP0.90
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonyl)morpholine;ethane
CID 143200179
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
(2S)-4-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid
CID 119361822
morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 24603019
2-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid
CID 105345603
2-(4-chloro-2-fluorophenoxy)-2-(4-morpholin-4-ylsulfonylphenyl)acetic acid
CID 66616666
N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 25332078
(2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271587
methyl (2S)-2-(4-morpholin-4-ylsulfonylphenoxy)propanoate
CID 9331081
(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 697456
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100678969
2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanoic acid
CID 119134269

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylsulfonylphenyl)propanoic acid?
The IUPAC name of 2-(4-morpholin-4-ylsulfonylphenyl)propanoic acid (CID 57373716) is 2-(4-morpholin-4-ylsulfonylphenyl)propanoic acid.
What is the SMILES notation for 2-(4-morpholin-4-ylsulfonylphenyl)propanoic acid?
The canonical SMILES for 2-(4-morpholin-4-ylsulfonylphenyl)propanoic acid is CC(C(=O)O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(4-morpholin-4-ylsulfonylphenyl)propanoic acid?
The InChIKey is QQLGCWKURZAZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-10(13(15)16)11-2-4-12(5-3-11)20(17,18)14-6-8-19-9-7-14/h2-5,10H,6-9H2,1H3,(H,15,16).
What are the key properties of 2-(4-morpholin-4-ylsulfonylphenyl)propanoic acid?
2-(4-morpholin-4-ylsulfonylphenyl)propanoic acid has a molecular weight of 299.35 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylsulfonylphenyl)propanoic acid is sourced from PubChem (CID 57373716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).