2-[4-(2-methyl-3-methylsulfanylpropanoyl)morpholin-2-yl]acetic acid

C11H19NO4S — CID 119248244

IUPAC2-[4-(2-methyl-3-methylsulfanylpropanoyl)morpholin-2-yl]acetic acid
SMILESCSCC(C)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C11H19NO4S/c1-8(7-17-2)11(15)12-3-4-16-9(6-12)5-10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyKTJNTKCFUSSUQR-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.69
Rot. Bonds5

About 2-[4-(2-methyl-3-methylsulfanylpropanoyl)morpholin-2-yl]acetic acid

2-[4-(2-methyl-3-methylsulfanylpropanoyl)morpholin-2-yl]acetic acid (PubChem CID 119248244) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-[4-(2-methyl-3-methylsulfanylpropanoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methyl-3-methylsulfanylpropanoyl)morpholin-2-yl]acetic acid
PubChem CID119248244
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name2-[4-(2-methyl-3-methylsulfanylpropanoyl)morpholin-2-yl]acetic acid
SMILESCSCC(C)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C11H19NO4S/c1-8(7-17-2)11(15)12-3-4-16-9(6-12)5-10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyKTJNTKCFUSSUQR-UHFFFAOYSA-N
XLogP0.69
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
CID 66433437
2-[4-[2-(azetidin-3-yl)propanoyl]morpholin-2-yl]acetic acid
CID 116678324
2-[4-[(2S)-2-amino-3-methylpentanoyl]morpholin-2-yl]acetic acid
CID 66433819
2-[4-[2-(carbamoylamino)-3-methylpentanoyl]morpholin-2-yl]acetic acid
CID 66420571
2-[4-(2-butoxypropanoyl)morpholin-2-yl]acetic acid
CID 119248222
2-[4-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597
2-[(2S)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholin-2-yl]acetic acid
CID 125120231
2-[4-[2-(cyclopentanecarbonylamino)propanoyl]morpholin-2-yl]acetic acid
CID 119248775
2-[4-[3-methyl-2-(3-methylbutanoylamino)butanoyl]morpholin-2-yl]acetic acid
CID 119248962
2-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]acetic acid
CID 66420375
2-[4-(2,2,4-trimethylpentanoyl)morpholin-2-yl]acetic acid
CID 120687874
2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435211

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-3-methylsulfanylpropanoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-methyl-3-methylsulfanylpropanoyl)morpholin-2-yl]acetic acid (CID 119248244) is 2-[4-(2-methyl-3-methylsulfanylpropanoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methyl-3-methylsulfanylpropanoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methyl-3-methylsulfanylpropanoyl)morpholin-2-yl]acetic acid is CSCC(C)C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(2-methyl-3-methylsulfanylpropanoyl)morpholin-2-yl]acetic acid?
The InChIKey is KTJNTKCFUSSUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-8(7-17-2)11(15)12-3-4-16-9(6-12)5-10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[4-(2-methyl-3-methylsulfanylpropanoyl)morpholin-2-yl]acetic acid?
2-[4-(2-methyl-3-methylsulfanylpropanoyl)morpholin-2-yl]acetic acid has a molecular weight of 261.34 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-3-methylsulfanylpropanoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).