2-[2-(thiolane-3-carbonylamino)ethoxy]acetic acid

C9H15NO4S — CID 79457787

IUPAC2-[2-(thiolane-3-carbonylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)C1CCSC1
InChIInChI=1S/C9H15NO4S/c11-8(12)5-14-3-2-10-9(13)7-1-4-15-6-7/h7H,1-6H2,(H,10,13)(H,11,12)
InChIKeyUYRYMAINCCQFSY-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.04
Rot. Bonds6

About 2-[2-(thiolane-3-carbonylamino)ethoxy]acetic acid

2-[2-(thiolane-3-carbonylamino)ethoxy]acetic acid (PubChem CID 79457787) has the molecular formula C9H15NO4S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-[2-(thiolane-3-carbonylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(thiolane-3-carbonylamino)ethoxy]acetic acid
PubChem CID79457787
Molecular FormulaC9H15NO4S
Molecular Weight233.29 g/mol
Exact Mass233.07
IUPAC Name2-[2-(thiolane-3-carbonylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)C1CCSC1
InChIInChI=1S/C9H15NO4S/c11-8(12)5-14-3-2-10-9(13)7-1-4-15-6-7/h7H,1-6H2,(H,10,13)(H,11,12)
InChIKeyUYRYMAINCCQFSY-UHFFFAOYSA-N
XLogP-0.04
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(azetidine-3-carbonylamino)ethoxy]acetic acid
CID 79456951
2-[2-(oxane-3-carbonylamino)ethoxy]acetic acid
CID 79457821
2-[2-[[(3S)-piperidine-3-carbonyl]amino]ethoxy]acetic acid
CID 81134707
N-[2-[[(3R)-thiolan-3-yl]amino]ethyl]cyclopropanecarboxamide
CID 97358881
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiolane-3-carboxamide
CID 115362677
N-(2-oxopropyl)thiolane-3-carboxamide
CID 64997229
2-[2-[(3-methylsulfonylthiomorpholine-4-carbonyl)amino]ethoxy]acetic acid
CID 79463963
2-[2-[(1-acetylpiperidine-3-carbonyl)amino]ethoxy]acetic acid
CID 79457879
N-[(4-hydroxycyclohexyl)methyl]thiolane-3-carboxamide
CID 106123732
4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106240401
N-(2-methylpropyl)thiolane-3-carboxamide
CID 64592330
2-[2-[(2-cyclohexylacetyl)amino]ethoxy]acetic acid
CID 79457520

Frequently Asked Questions

What is the IUPAC name of 2-[2-(thiolane-3-carbonylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-(thiolane-3-carbonylamino)ethoxy]acetic acid (CID 79457787) is 2-[2-(thiolane-3-carbonylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(thiolane-3-carbonylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(thiolane-3-carbonylamino)ethoxy]acetic acid is O=C(O)COCCNC(=O)C1CCSC1.
What is the InChIKey of 2-[2-(thiolane-3-carbonylamino)ethoxy]acetic acid?
The InChIKey is UYRYMAINCCQFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4S/c11-8(12)5-14-3-2-10-9(13)7-1-4-15-6-7/h7H,1-6H2,(H,10,13)(H,11,12).
What are the key properties of 2-[2-(thiolane-3-carbonylamino)ethoxy]acetic acid?
2-[2-(thiolane-3-carbonylamino)ethoxy]acetic acid has a molecular weight of 233.29 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thiolane-3-carbonylamino)ethoxy]acetic acid is sourced from PubChem (CID 79457787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).