4-[2-(2-methoxyethoxy)acetyl]thiomorpholine-3-carboxylic acid

C10H17NO5S — CID 82900985

IUPAC4-[2-(2-methoxyethoxy)acetyl]thiomorpholine-3-carboxylic acid
SMILESCOCCOCC(=O)N1CCSCC1C(=O)O
InChIInChI=1S/C10H17NO5S/c1-15-3-4-16-6-9(12)11-2-5-17-7-8(11)10(13)14/h8H,2-7H2,1H3,(H,13,14)
InChIKeyQHIQPHDWQLZZCB-UHFFFAOYSA-N
MW263.31 g/mol
LogP-0.32
Rot. Bonds6

About 4-[2-(2-methoxyethoxy)acetyl]thiomorpholine-3-carboxylic acid

4-[2-(2-methoxyethoxy)acetyl]thiomorpholine-3-carboxylic acid (PubChem CID 82900985) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)acetyl]thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)acetyl]thiomorpholine-3-carboxylic acid
PubChem CID82900985
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name4-[2-(2-methoxyethoxy)acetyl]thiomorpholine-3-carboxylic acid
SMILESCOCCOCC(=O)N1CCSCC1C(=O)O
InChIInChI=1S/C10H17NO5S/c1-15-3-4-16-6-9(12)11-2-5-17-7-8(11)10(13)14/h8H,2-7H2,1H3,(H,13,14)
InChIKeyQHIQPHDWQLZZCB-UHFFFAOYSA-N
XLogP-0.32
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-0.32
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-methoxyethoxy)acetyl]thiomorpholin-3-yl]acetic acid
CID 66443894
4-[2-(2-methoxyethoxy)ethyl]thiomorpholine-3-carboxylic acid
CID 82909368
1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 43355713
4-[3-methoxypropyl(methyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82906432
4-[2-methoxyethyl(3-methoxypropyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82902111
4-(4-ethoxy-4-oxobutanoyl)thiomorpholine-3-carboxylic acid
CID 82900928
4-[2-(azetidin-3-yl)acetyl]thiomorpholine-3-carboxylic acid
CID 82904022
4-(3-aminobutanoyl)thiomorpholine-3-carboxylic acid
CID 82904428
ethyl 4-(2-ethoxyacetyl)thiomorpholine-3-carboxylate
CID 60737192
4-[2-(1-methoxycyclobutyl)acetyl]thiomorpholine-3-carboxylic acid
CID 103555772
4-[2-(4-methoxyphenyl)acetyl]thiomorpholine-3-carboxylic acid
CID 78979641
4-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]thiomorpholine-3-carboxylic acid
CID 82901485

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)acetyl]thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-[2-(2-methoxyethoxy)acetyl]thiomorpholine-3-carboxylic acid (CID 82900985) is 4-[2-(2-methoxyethoxy)acetyl]thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)acetyl]thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-(2-methoxyethoxy)acetyl]thiomorpholine-3-carboxylic acid is COCCOCC(=O)N1CCSCC1C(=O)O.
What is the InChIKey of 4-[2-(2-methoxyethoxy)acetyl]thiomorpholine-3-carboxylic acid?
The InChIKey is QHIQPHDWQLZZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-15-3-4-16-6-9(12)11-2-5-17-7-8(11)10(13)14/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 4-[2-(2-methoxyethoxy)acetyl]thiomorpholine-3-carboxylic acid?
4-[2-(2-methoxyethoxy)acetyl]thiomorpholine-3-carboxylic acid has a molecular weight of 263.31 g/mol, XLogP of -0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)acetyl]thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82900985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).