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

C11H20N2O4S — CID 79291484

IUPAC2-[4-[2-(2-methoxyethylamino)acetyl]thiomorpholin-3-yl]acetic acid
SMILESCOCCNCC(=O)N1CCSCC1CC(=O)O
InChIInChI=1S/C11H20N2O4S/c1-17-4-2-12-7-10(14)13-3-5-18-8-9(13)6-11(15)16/h9,12H,2-8H2,1H3,(H,15,16)
InChIKeyOIIXKIYIFJWDAC-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.36
Rot. Bonds7

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

2-[4-[2-(2-methoxyethylamino)acetyl]thiomorpholin-3-yl]acetic acid (PubChem CID 79291484) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[4-[2-(2-methoxyethylamino)acetyl]thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2-methoxyethylamino)acetyl]thiomorpholin-3-yl]acetic acid
PubChem CID79291484
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name2-[4-[2-(2-methoxyethylamino)acetyl]thiomorpholin-3-yl]acetic acid
SMILESCOCCNCC(=O)N1CCSCC1CC(=O)O
InChIInChI=1S/C11H20N2O4S/c1-17-4-2-12-7-10(14)13-3-5-18-8-9(13)6-11(15)16/h9,12H,2-8H2,1H3,(H,15,16)
InChIKeyOIIXKIYIFJWDAC-UHFFFAOYSA-N
XLogP-0.36
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
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
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-[2-[(2-phenylacetyl)amino]acetyl]thiomorpholin-3-yl]acetic acid
CID 119210083
2-[4-[2-(cyclopropylmethoxy)acetyl]thiomorpholin-3-yl]acetic acid
CID 119210529
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-[3-[(2-phenylacetyl)amino]propanoyl]thiomorpholin-3-yl]acetic acid
CID 119210347
2-[4-[2-(3,4-dimethylphenoxy)acetyl]thiomorpholin-3-yl]acetic acid
CID 119210474

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methoxyethylamino)acetyl]thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[2-(2-methoxyethylamino)acetyl]thiomorpholin-3-yl]acetic acid (CID 79291484) is 2-[4-[2-(2-methoxyethylamino)acetyl]thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(2-methoxyethylamino)acetyl]thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(2-methoxyethylamino)acetyl]thiomorpholin-3-yl]acetic acid is COCCNCC(=O)N1CCSCC1CC(=O)O.
What is the InChIKey of 2-[4-[2-(2-methoxyethylamino)acetyl]thiomorpholin-3-yl]acetic acid?
The InChIKey is OIIXKIYIFJWDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-17-4-2-12-7-10(14)13-3-5-18-8-9(13)6-11(15)16/h9,12H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-[4-[2-(2-methoxyethylamino)acetyl]thiomorpholin-3-yl]acetic acid?
2-[4-[2-(2-methoxyethylamino)acetyl]thiomorpholin-3-yl]acetic acid has a molecular weight of 276.36 g/mol, XLogP of -0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methoxyethylamino)acetyl]thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 79291484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).