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

C11H19NO4S — CID 80593689

IUPAC2-[2-methoxyethyl(thiane-2-carbonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)C1CCCCS1
InChIInChI=1S/C11H19NO4S/c1-16-6-5-12(8-10(13)14)11(15)9-4-2-3-7-17-9/h9H,2-8H2,1H3,(H,13,14)
InChIKeyKHDFQBKVZMJMKM-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.83
Rot. Bonds6

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

2-[2-methoxyethyl(thiane-2-carbonyl)amino]acetic acid (PubChem CID 80593689) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-[2-methoxyethyl(thiane-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(thiane-2-carbonyl)amino]acetic acid
PubChem CID80593689
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name2-[2-methoxyethyl(thiane-2-carbonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)C1CCCCS1
InChIInChI=1S/C11H19NO4S/c1-16-6-5-12(8-10(13)14)11(15)9-4-2-3-7-17-9/h9H,2-8H2,1H3,(H,13,14)
InChIKeyKHDFQBKVZMJMKM-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxyethyl(thiane-4-carbonyl)amino]acetic acid
CID 119348007
2-[(2,2-dichlorocyclopropanecarbonyl)-(2-methoxyethyl)amino]acetic acid
CID 115596423
2-[cycloheptylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79271342
2-[2-methoxyethyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869714
2-[2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl(2-methoxyethyl)amino]acetic acid
CID 79270937
N,N-diethylthiolane-2-carboxamide
CID 64592668
4-[methyl(thiane-2-carbonyl)amino]butanoic acid
CID 80594247
2-[cyclobutylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269687
N-(2-bromoethyl)-N-propylthiane-2-carboxamide
CID 80659932
2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
3-[propan-2-yl(thiane-2-carbonyl)amino]propanoic acid
CID 80594671
2-[2-methoxyethyl-(5-methyloxolane-2-carbonyl)amino]acetic acid
CID 81324118

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(thiane-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl(thiane-2-carbonyl)amino]acetic acid (CID 80593689) is 2-[2-methoxyethyl(thiane-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl(thiane-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl(thiane-2-carbonyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)C1CCCCS1.
What is the InChIKey of 2-[2-methoxyethyl(thiane-2-carbonyl)amino]acetic acid?
The InChIKey is KHDFQBKVZMJMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-16-6-5-12(8-10(13)14)11(15)9-4-2-3-7-17-9/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-[2-methoxyethyl(thiane-2-carbonyl)amino]acetic acid?
2-[2-methoxyethyl(thiane-2-carbonyl)amino]acetic acid has a molecular weight of 261.34 g/mol, XLogP of 0.83, 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-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 80593689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).