2-[3-[(2S)-2-thiophen-3-ylmorpholine-4-carbonyl]phenoxy]acetic acid

C17H17NO5S — CID 129466702

IUPAC2-[3-[(2S)-2-thiophen-3-ylmorpholine-4-carbonyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)N2CCO[C@@H](c3ccsc3)C2)c1
InChIInChI=1S/C17H17NO5S/c19-16(20)10-23-14-3-1-2-12(8-14)17(21)18-5-6-22-15(9-18)13-4-7-24-11-13/h1-4,7-8,11,15H,5-6,9-10H2,(H,19,20)/t15-/m1/s1
InChIKeyWJDNDDNKDXUPNO-OAHLLOKOSA-N
MW347.39 g/mol
LogP2.43
Rot. Bonds5

About 2-[3-[(2S)-2-thiophen-3-ylmorpholine-4-carbonyl]phenoxy]acetic acid

2-[3-[(2S)-2-thiophen-3-ylmorpholine-4-carbonyl]phenoxy]acetic acid (PubChem CID 129466702) has the molecular formula C17H17NO5S and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-[3-[(2S)-2-thiophen-3-ylmorpholine-4-carbonyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(2S)-2-thiophen-3-ylmorpholine-4-carbonyl]phenoxy]acetic acid
PubChem CID129466702
Molecular FormulaC17H17NO5S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC Name2-[3-[(2S)-2-thiophen-3-ylmorpholine-4-carbonyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)N2CCO[C@@H](c3ccsc3)C2)c1
InChIInChI=1S/C17H17NO5S/c19-16(20)10-23-14-3-1-2-12(8-14)17(21)18-5-6-22-15(9-18)13-4-7-24-11-13/h1-4,7-8,11,15H,5-6,9-10H2,(H,19,20)/t15-/m1/s1
InChIKeyWJDNDDNKDXUPNO-OAHLLOKOSA-N
XLogP2.43
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-propan-2-ylmorpholine-4-carbonyl)phenoxy]acetic acid
CID 120550406
5-(2-thiophen-3-ylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 120533579
[2-(4-chlorophenyl)morpholin-4-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 55982427
[2-(4-fluorophenyl)morpholin-4-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone
CID 46420143
2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119248791
[2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 121134461
2-[3-(2,2-dicyclopropylmorpholine-4-carbonyl)phenoxy]acetic acid
CID 136552167
2-[3-(4-phenylazepane-1-carbonyl)phenoxy]acetic acid
CID 119184005
2-[3-[(3S)-3-(difluoromethoxy)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 146136334
2-[3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 119184827
4-[3-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid
CID 119238893
2-[3-(4-ethenylpiperidine-1-carbonyl)phenoxy]acetic acid
CID 120550130

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2S)-2-thiophen-3-ylmorpholine-4-carbonyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(2S)-2-thiophen-3-ylmorpholine-4-carbonyl]phenoxy]acetic acid (CID 129466702) is 2-[3-[(2S)-2-thiophen-3-ylmorpholine-4-carbonyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(2S)-2-thiophen-3-ylmorpholine-4-carbonyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(2S)-2-thiophen-3-ylmorpholine-4-carbonyl]phenoxy]acetic acid is O=C(O)COc1cccc(C(=O)N2CCO[C@@H](c3ccsc3)C2)c1.
What is the InChIKey of 2-[3-[(2S)-2-thiophen-3-ylmorpholine-4-carbonyl]phenoxy]acetic acid?
The InChIKey is WJDNDDNKDXUPNO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17NO5S/c19-16(20)10-23-14-3-1-2-12(8-14)17(21)18-5-6-22-15(9-18)13-4-7-24-11-13/h1-4,7-8,11,15H,5-6,9-10H2,(H,19,20)/t15-/m1/s1.
What are the key properties of 2-[3-[(2S)-2-thiophen-3-ylmorpholine-4-carbonyl]phenoxy]acetic acid?
2-[3-[(2S)-2-thiophen-3-ylmorpholine-4-carbonyl]phenoxy]acetic acid has a molecular weight of 347.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2S)-2-thiophen-3-ylmorpholine-4-carbonyl]phenoxy]acetic acid is sourced from PubChem (CID 129466702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).