2-[2-methoxyethyl(thian-3-yl)amino]acetic acid

C10H19NO3S — CID 65067453

IUPAC2-[2-methoxyethyl(thian-3-yl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C1CCCSC1
InChIInChI=1S/C10H19NO3S/c1-14-5-4-11(7-10(12)13)9-3-2-6-15-8-9/h9H,2-8H2,1H3,(H,12,13)
InChIKeyWYQSFDWGZHIIFE-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.92
Rot. Bonds6

About 2-[2-methoxyethyl(thian-3-yl)amino]acetic acid

2-[2-methoxyethyl(thian-3-yl)amino]acetic acid (PubChem CID 65067453) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 2-[2-methoxyethyl(thian-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(thian-3-yl)amino]acetic acid
PubChem CID65067453
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name2-[2-methoxyethyl(thian-3-yl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C1CCCSC1
InChIInChI=1S/C10H19NO3S/c1-14-5-4-11(7-10(12)13)9-3-2-6-15-8-9/h9H,2-8H2,1H3,(H,12,13)
InChIKeyWYQSFDWGZHIIFE-UHFFFAOYSA-N
XLogP0.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethylcycloheptyl)-(2-methoxyethyl)amino]acetic acid
CID 65087606
2-[2-methoxyethyl-(1-methylpiperidin-4-yl)amino]acetic acid
CID 65067210
2-[2-methoxyethyl(spiro[4.5]decan-8-yl)amino]acetic acid
CID 114820730
2-[2-methoxyethyl-(3-methylcyclobutyl)amino]acetic acid
CID 103565164
N-(2-methoxyethyl)-N-(piperidin-3-ylmethyl)thian-3-amine;hydrochloride
CID 120858112
2-[tert-butyl(thian-3-yl)amino]acetic acid
CID 79269334
2-[2-methoxyethyl(oxolan-3-yl)amino]acetic acid
CID 63563211
4-[methyl(thian-3-yl)amino]butanoic acid
CID 65068282
2-[2-methoxyethyl(thiane-4-carbonyl)amino]acetic acid
CID 119348007
5-[2-methoxyethyl(thiolan-3-yl)amino]-5-oxopentanoic acid
CID 54875063
2-[cyclobutylmethyl(2-methoxyethyl)amino]acetic acid
CID 65457394
(2S)-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrolidine-2-carboxamide
CID 61163362

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(thian-3-yl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl(thian-3-yl)amino]acetic acid (CID 65067453) is 2-[2-methoxyethyl(thian-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl(thian-3-yl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl(thian-3-yl)amino]acetic acid is COCCN(CC(=O)O)C1CCCSC1.
What is the InChIKey of 2-[2-methoxyethyl(thian-3-yl)amino]acetic acid?
The InChIKey is WYQSFDWGZHIIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-14-5-4-11(7-10(12)13)9-3-2-6-15-8-9/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 2-[2-methoxyethyl(thian-3-yl)amino]acetic acid?
2-[2-methoxyethyl(thian-3-yl)amino]acetic acid has a molecular weight of 233.33 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(thian-3-yl)amino]acetic acid is sourced from PubChem (CID 65067453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).