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

C12H21NO6S — CID 119248405

IUPAC2-[4-[2-(2-methylpropylsulfonyl)acetyl]morpholin-2-yl]acetic acid
SMILESCC(C)CS(=O)(=O)CC(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C12H21NO6S/c1-9(2)7-20(17,18)8-11(14)13-3-4-19-10(6-13)5-12(15)16/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyCEXBGQVVJGNNRH-UHFFFAOYSA-N
MW307.37 g/mol
LogP-0.24
Rot. Bonds6

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

2-[4-[2-(2-methylpropylsulfonyl)acetyl]morpholin-2-yl]acetic acid (PubChem CID 119248405) has the molecular formula C12H21NO6S and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-[4-[2-(2-methylpropylsulfonyl)acetyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2-methylpropylsulfonyl)acetyl]morpholin-2-yl]acetic acid
PubChem CID119248405
Molecular FormulaC12H21NO6S
Molecular Weight307.37 g/mol
Exact Mass307.11
IUPAC Name2-[4-[2-(2-methylpropylsulfonyl)acetyl]morpholin-2-yl]acetic acid
SMILESCC(C)CS(=O)(=O)CC(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C12H21NO6S/c1-9(2)7-20(17,18)8-11(14)13-3-4-19-10(6-13)5-12(15)16/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyCEXBGQVVJGNNRH-UHFFFAOYSA-N
XLogP-0.24
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-4-[3-(2-methylpropoxy)propanoyl]morpholin-2-yl]acetic acid
CID 125152120
2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
CID 66433437
2-[4-[2-(4-propan-2-ylsulfonylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 120527813
(3S)-1-[2-(2-methylpropylsulfonyl)acetyl]pyrrolidine-3-carboxylic acid
CID 125149048
2-[4-(3,3-dicyclopropylpropanoyl)morpholin-2-yl]acetic acid
CID 119248213
2-[4-(2,2,4-trimethylpentanoyl)morpholin-2-yl]acetic acid
CID 120687874
2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435211
2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515284
2-[4-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597
2-[4-(2-methyl-3-methylsulfanylpropanoyl)morpholin-2-yl]acetic acid
CID 119248244
2-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]acetic acid
CID 66420375
2-[4-(2-pentoxyacetyl)morpholin-2-yl]acetic acid
CID 119247634

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methylpropylsulfonyl)acetyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-(2-methylpropylsulfonyl)acetyl]morpholin-2-yl]acetic acid (CID 119248405) is 2-[4-[2-(2-methylpropylsulfonyl)acetyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(2-methylpropylsulfonyl)acetyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(2-methylpropylsulfonyl)acetyl]morpholin-2-yl]acetic acid is CC(C)CS(=O)(=O)CC(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[2-(2-methylpropylsulfonyl)acetyl]morpholin-2-yl]acetic acid?
The InChIKey is CEXBGQVVJGNNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO6S/c1-9(2)7-20(17,18)8-11(14)13-3-4-19-10(6-13)5-12(15)16/h9-10H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-[2-(2-methylpropylsulfonyl)acetyl]morpholin-2-yl]acetic acid?
2-[4-[2-(2-methylpropylsulfonyl)acetyl]morpholin-2-yl]acetic acid has a molecular weight of 307.37 g/mol, XLogP of -0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methylpropylsulfonyl)acetyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).