2-[2-methoxyethyl(thiane-4-carbonyl)amino]acetic acid

C11H19NO4S — CID 119348007

IUPAC2-[2-methoxyethyl(thiane-4-carbonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)C1CCSCC1
InChIInChI=1S/C11H19NO4S/c1-16-5-4-12(8-10(13)14)11(15)9-2-6-17-7-3-9/h9H,2-8H2,1H3,(H,13,14)
InChIKeyYWZLAFVBTPGFLB-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.69
Rot. Bonds6

About 2-[2-methoxyethyl(thiane-4-carbonyl)amino]acetic acid

2-[2-methoxyethyl(thiane-4-carbonyl)amino]acetic acid (PubChem CID 119348007) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-[2-methoxyethyl(thiane-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(thiane-4-carbonyl)amino]acetic acid
PubChem CID119348007
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name2-[2-methoxyethyl(thiane-4-carbonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)C1CCSCC1
InChIInChI=1S/C11H19NO4S/c1-16-5-4-12(8-10(13)14)11(15)9-2-6-17-7-3-9/h9H,2-8H2,1H3,(H,13,14)
InChIKeyYWZLAFVBTPGFLB-UHFFFAOYSA-N
XLogP0.69
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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-[2-methoxyethyl(thiane-2-carbonyl)amino]acetic acid
CID 80593689
3-[cyclopropanecarbonyl(2-methoxyethyl)amino]propanoic acid
CID 82323958
2-[2-methoxyethyl-[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]acetic acid
CID 125118927
2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
2-[(2,2-dichlorocyclopropanecarbonyl)-(2-methoxyethyl)amino]acetic acid
CID 115596423
2-[2-methoxyethyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869714
2-[2-methoxyethyl-(5-methyloxolane-2-carbonyl)amino]acetic acid
CID 81324118
2-[carboxymethyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 63645629
N-(2-hydroxyethyl)-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 115772789
2-[cyclopropylmethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269872
2-[cyclobutylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269687
2-[7-azabicyclo[2.2.1]heptane-2-carbonyl(2-methoxyethyl)amino]acetic acid
CID 79272229

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(thiane-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl(thiane-4-carbonyl)amino]acetic acid (CID 119348007) is 2-[2-methoxyethyl(thiane-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl(thiane-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl(thiane-4-carbonyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)C1CCSCC1.
What is the InChIKey of 2-[2-methoxyethyl(thiane-4-carbonyl)amino]acetic acid?
The InChIKey is YWZLAFVBTPGFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-16-5-4-12(8-10(13)14)11(15)9-2-6-17-7-3-9/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-[2-methoxyethyl(thiane-4-carbonyl)amino]acetic acid?
2-[2-methoxyethyl(thiane-4-carbonyl)amino]acetic acid has a molecular weight of 261.34 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(thiane-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 119348007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).