2-[4-[2-(2-methoxyethoxy)acetyl]thiomorpholin-3-yl]acetic acid

C11H19NO5S — CID 66443894

IUPAC2-[4-[2-(2-methoxyethoxy)acetyl]thiomorpholin-3-yl]acetic acid
SMILESCOCCOCC(=O)N1CCSCC1CC(=O)O
InChIInChI=1S/C11H19NO5S/c1-16-3-4-17-7-10(13)12-2-5-18-8-9(12)6-11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeyNNYPAHLMUHMXNW-UHFFFAOYSA-N
MW277.34 g/mol
LogP0.07
Rot. Bonds7

About 2-[4-[2-(2-methoxyethoxy)acetyl]thiomorpholin-3-yl]acetic acid

2-[4-[2-(2-methoxyethoxy)acetyl]thiomorpholin-3-yl]acetic acid (PubChem CID 66443894) has the molecular formula C11H19NO5S and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-[4-[2-(2-methoxyethoxy)acetyl]thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2-methoxyethoxy)acetyl]thiomorpholin-3-yl]acetic acid
PubChem CID66443894
Molecular FormulaC11H19NO5S
Molecular Weight277.34 g/mol
Exact Mass277.10
IUPAC Name2-[4-[2-(2-methoxyethoxy)acetyl]thiomorpholin-3-yl]acetic acid
SMILESCOCCOCC(=O)N1CCSCC1CC(=O)O
InChIInChI=1S/C11H19NO5S/c1-16-3-4-17-7-10(13)12-2-5-18-8-9(12)6-11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeyNNYPAHLMUHMXNW-UHFFFAOYSA-N
XLogP0.07
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(2-methoxyethylamino)acetyl]thiomorpholin-3-yl]acetic acid
CID 79291484
2-[4-[2-(cyclopropylmethoxy)acetyl]thiomorpholin-3-yl]acetic acid
CID 119210529
4-[2-(2-methoxyethoxy)acetyl]thiomorpholine-3-carboxylic acid
CID 82900985
2-[4-(2-methylsulfanylacetyl)thiomorpholin-3-yl]acetic acid
CID 66443082
2-[4-(2-methoxyethyl)thiomorpholin-3-yl]acetic acid
CID 66444150
2-(4-decanoylthiomorpholin-3-yl)acetic acid
CID 66444636
2-(4-nonanoylthiomorpholin-3-yl)acetic acid
CID 66445249
2-[4-(4-aminopentanoyl)thiomorpholin-3-yl]acetic acid
CID 66443584
2-(4-ethoxycarbonylthiomorpholin-3-yl)acetic acid
CID 66444292
2-[4-(3,4-dimethylpentanoyl)thiomorpholin-3-yl]acetic acid
CID 119210437
2-[4-[2-(3,4-dimethylphenoxy)acetyl]thiomorpholin-3-yl]acetic acid
CID 119210474
2-[4-(2-cycloheptylacetyl)thiomorpholin-3-yl]acetic acid
CID 115909820

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methoxyethoxy)acetyl]thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[2-(2-methoxyethoxy)acetyl]thiomorpholin-3-yl]acetic acid (CID 66443894) is 2-[4-[2-(2-methoxyethoxy)acetyl]thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(2-methoxyethoxy)acetyl]thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(2-methoxyethoxy)acetyl]thiomorpholin-3-yl]acetic acid is COCCOCC(=O)N1CCSCC1CC(=O)O.
What is the InChIKey of 2-[4-[2-(2-methoxyethoxy)acetyl]thiomorpholin-3-yl]acetic acid?
The InChIKey is NNYPAHLMUHMXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S/c1-16-3-4-17-7-10(13)12-2-5-18-8-9(12)6-11(14)15/h9H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-[4-[2-(2-methoxyethoxy)acetyl]thiomorpholin-3-yl]acetic acid?
2-[4-[2-(2-methoxyethoxy)acetyl]thiomorpholin-3-yl]acetic acid has a molecular weight of 277.34 g/mol, XLogP of 0.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methoxyethoxy)acetyl]thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 66443894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).