ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate

C8H14N2O3S — CID 70296848

IUPACethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate
SMILESCCOC(=O)CNC(=O)C1NCCS1
InChIInChI=1S/C8H14N2O3S/c1-2-13-6(11)5-10-7(12)8-9-3-4-14-8/h8-9H,2-5H2,1H3,(H,10,12)
InChIKeyLUUSLTXMLCBAKD-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.67
Rot. Bonds4

About ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate

ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate (PubChem CID 70296848) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate
PubChem CID70296848
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Nameethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate
SMILESCCOC(=O)CNC(=O)C1NCCS1
InChIInChI=1S/C8H14N2O3S/c1-2-13-6(11)5-10-7(12)8-9-3-4-14-8/h8-9H,2-5H2,1H3,(H,10,12)
InChIKeyLUUSLTXMLCBAKD-UHFFFAOYSA-N
XLogP-0.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1,3-thiazolidine-2-carboxylate;hydrochloride
CID 55278769
ethyl 2-(piperazine-2-carbonylamino)acetate
CID 54250774
carbonic acid;2-(1-ethoxyethenyl)-1,3-thiazolidine
CID 71405468
ethyl 2-(cyclopropanecarbonylamino)acetate
CID 5228151
ethyl 2-[[(4S)-1,3-thiazolidine-4-carbonyl]amino]acetate;hydrochloride
CID 119279987
ethyl 2-[(2S)-1,3-thiazolidin-2-yl]acetate
CID 70429766
ethyl 2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetate
CID 60817082
ethyl 2-(dithiepane-3-carbonylamino)acetate
CID 139826251
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
(2S,3R)-2-amino-3-methyl-1-(1,3-thiazolidin-2-yl)pentan-1-one
CID 10125142
2-[(2-ethoxy-2-oxoethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 4193724
ethyl 2-(carbamoyl(15N)amino)acetate
CID 46781708

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate?
The IUPAC name of ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate (CID 70296848) is ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate.
What is the SMILES notation for ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate?
The canonical SMILES for ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate is CCOC(=O)CNC(=O)C1NCCS1.
What is the InChIKey of ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate?
The InChIKey is LUUSLTXMLCBAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-2-13-6(11)5-10-7(12)8-9-3-4-14-8/h8-9H,2-5H2,1H3,(H,10,12).
What are the key properties of ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate?
ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate has a molecular weight of 218.28 g/mol, XLogP of -0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate is sourced from PubChem (CID 70296848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).