4-(2-ethylsulfanylethyl)morpholine-2-carboxylic acid

C9H17NO3S — CID 115741300

IUPAC4-(2-ethylsulfanylethyl)morpholine-2-carboxylic acid
SMILESCCSCCN1CCOC(C(=O)O)C1
InChIInChI=1S/C9H17NO3S/c1-2-14-6-4-10-3-5-13-8(7-10)9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyUEBOWCDGPLHZOV-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.52
Rot. Bonds5

About 4-(2-ethylsulfanylethyl)morpholine-2-carboxylic acid

4-(2-ethylsulfanylethyl)morpholine-2-carboxylic acid (PubChem CID 115741300) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 4-(2-ethylsulfanylethyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-ethylsulfanylethyl)morpholine-2-carboxylic acid
PubChem CID115741300
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name4-(2-ethylsulfanylethyl)morpholine-2-carboxylic acid
SMILESCCSCCN1CCOC(C(=O)O)C1
InChIInChI=1S/C9H17NO3S/c1-2-14-6-4-10-3-5-13-8(7-10)9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyUEBOWCDGPLHZOV-UHFFFAOYSA-N
XLogP0.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(Trifluoromethylsulfanyl)ethyl]morpholine-2-carboxylic acid
CID 116616772
(6R)-6-methyl-4-[2-(2,2,2-trifluoroethylsulfanyl)acetyl]morpholine-2-carboxylic acid
CID 120536046
8-Thia-5-azoniaspiro[4.5]decan-3-yl 2-hydroxy-2-methylpropanoate chloride
CID 20334191
8-Thia-5-azoniaspiro[4.5]decan-3-yl 2-hydroxy-2-methylpropanoate
CID 20334192
4-[(4-Methylmorpholine-2-carbonyl)oxymethyl]thiomorpholine-2-carboxylic acid
CID 126498222
Ethane;4-methylmorpholine-2-carboxylic acid
CID 144205137
Ethane;4-ethylmorpholine-2-carboxylic acid
CID 145401356
2-Acetyloxy-3-thiomorpholin-4-ylpropanoic acid
CID 176117852
4-Butylmorpholine-2-carboxylic acid
CID 16243989
(2S)-4-butylmorpholine-2-carboxylic acid
CID 51440995
(2R)-4-butylmorpholine-2-carboxylic acid
CID 51440997
4-(3-Methoxypropyl)morpholine-2-carboxylic acid
CID 61735613

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylsulfanylethyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(2-ethylsulfanylethyl)morpholine-2-carboxylic acid (CID 115741300) is 4-(2-ethylsulfanylethyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(2-ethylsulfanylethyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(2-ethylsulfanylethyl)morpholine-2-carboxylic acid is CCSCCN1CCOC(C(=O)O)C1.
What is the InChIKey of 4-(2-ethylsulfanylethyl)morpholine-2-carboxylic acid?
The InChIKey is UEBOWCDGPLHZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-2-14-6-4-10-3-5-13-8(7-10)9(11)12/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 4-(2-ethylsulfanylethyl)morpholine-2-carboxylic acid?
4-(2-ethylsulfanylethyl)morpholine-2-carboxylic acid has a molecular weight of 219.31 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylsulfanylethyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 115741300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).