2-[4-[2-(4-propan-2-ylsulfonylphenyl)acetyl]morpholin-2-yl]acetic acid

C17H23NO6S — CID 120527813

IUPAC2-[4-[2-(4-propan-2-ylsulfonylphenyl)acetyl]morpholin-2-yl]acetic acid
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)N2CCOC(CC(=O)O)C2)cc1
InChIInChI=1S/C17H23NO6S/c1-12(2)25(22,23)15-5-3-13(4-6-15)9-16(19)18-7-8-24-14(11-18)10-17(20)21/h3-6,12,14H,7-11H2,1-2H3,(H,20,21)
InChIKeyRLHBXAXRMBQJSN-UHFFFAOYSA-N
MW369.44 g/mol
LogP1.11
Rot. Bonds6

About 2-[4-[2-(4-propan-2-ylsulfonylphenyl)acetyl]morpholin-2-yl]acetic acid

2-[4-[2-(4-propan-2-ylsulfonylphenyl)acetyl]morpholin-2-yl]acetic acid (PubChem CID 120527813) has the molecular formula C17H23NO6S and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-[4-[2-(4-propan-2-ylsulfonylphenyl)acetyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(4-propan-2-ylsulfonylphenyl)acetyl]morpholin-2-yl]acetic acid
PubChem CID120527813
Molecular FormulaC17H23NO6S
Molecular Weight369.44 g/mol
Exact Mass369.12
IUPAC Name2-[4-[2-(4-propan-2-ylsulfonylphenyl)acetyl]morpholin-2-yl]acetic acid
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)N2CCOC(CC(=O)O)C2)cc1
InChIInChI=1S/C17H23NO6S/c1-12(2)25(22,23)15-5-3-13(4-6-15)9-16(19)18-7-8-24-14(11-18)10-17(20)21/h3-6,12,14H,7-11H2,1-2H3,(H,20,21)
InChIKeyRLHBXAXRMBQJSN-UHFFFAOYSA-N
XLogP1.11
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 119248876
2-[4-[2-(4-methoxyphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66434960
2-[4-[2-[4-(2-methylpropoxy)phenyl]acetyl]morpholin-2-yl]acetic acid
CID 119247660
1-morpholin-4-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 16838369
2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66421746
2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]morpholin-2-yl]acetic acid
CID 119247939
methyl 2-[4-[2-(4-methylphenyl)acetyl]morpholin-2-yl]acetate
CID 79813124
2-[4-[2-(2-methylpropylsulfonyl)acetyl]morpholin-2-yl]acetic acid
CID 119248405
2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)ethanone
CID 43562198
1-[2-(bromomethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 81210723
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
2-[(2S)-4-[2-(cyclohexen-1-yl)acetyl]morpholin-2-yl]acetic acid
CID 124515383

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-propan-2-ylsulfonylphenyl)acetyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-(4-propan-2-ylsulfonylphenyl)acetyl]morpholin-2-yl]acetic acid (CID 120527813) is 2-[4-[2-(4-propan-2-ylsulfonylphenyl)acetyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(4-propan-2-ylsulfonylphenyl)acetyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(4-propan-2-ylsulfonylphenyl)acetyl]morpholin-2-yl]acetic acid is CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCOC(CC(=O)O)C2)cc1.
What is the InChIKey of 2-[4-[2-(4-propan-2-ylsulfonylphenyl)acetyl]morpholin-2-yl]acetic acid?
The InChIKey is RLHBXAXRMBQJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO6S/c1-12(2)25(22,23)15-5-3-13(4-6-15)9-16(19)18-7-8-24-14(11-18)10-17(20)21/h3-6,12,14H,7-11H2,1-2H3,(H,20,21).
What are the key properties of 2-[4-[2-(4-propan-2-ylsulfonylphenyl)acetyl]morpholin-2-yl]acetic acid?
2-[4-[2-(4-propan-2-ylsulfonylphenyl)acetyl]morpholin-2-yl]acetic acid has a molecular weight of 369.44 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-propan-2-ylsulfonylphenyl)acetyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 120527813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).