ethyl 2-[[(4S)-1,3-thiazolidine-4-carbonyl]amino]acetate;hydrochloride

C8H15ClN2O3S — CID 119279987

IUPACethyl 2-[[(4S)-1,3-thiazolidine-4-carbonyl]amino]acetate;hydrochloride
SMILESCCOC(=O)CNC(=O)[C@H]1CSCN1.Cl
InChIInChI=1S/C8H14N2O3S.ClH/c1-2-13-7(11)3-9-8(12)6-4-14-5-10-6;/h6,10H,2-5H2,1H3,(H,9,12);1H/t6-;/m1./s1
InChIKeyKBXAUWPEKBZJAB-FYZOBXCZSA-N
MW254.74 g/mol
LogP-0.25
Rot. Bonds4

About ethyl 2-[[(4S)-1,3-thiazolidine-4-carbonyl]amino]acetate;hydrochloride

ethyl 2-[[(4S)-1,3-thiazolidine-4-carbonyl]amino]acetate;hydrochloride (PubChem CID 119279987) has the molecular formula C8H15ClN2O3S and a molecular weight of 254.74 g/mol. Its IUPAC name is ethyl 2-[[(4S)-1,3-thiazolidine-4-carbonyl]amino]acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[[(4S)-1,3-thiazolidine-4-carbonyl]amino]acetate;hydrochloride
PubChem CID119279987
Molecular FormulaC8H15ClN2O3S
Molecular Weight254.74 g/mol
Exact Mass254.05
IUPAC Nameethyl 2-[[(4S)-1,3-thiazolidine-4-carbonyl]amino]acetate;hydrochloride
SMILESCCOC(=O)CNC(=O)[C@H]1CSCN1.Cl
InChIInChI=1S/C8H14N2O3S.ClH/c1-2-13-7(11)3-9-8(12)6-4-14-5-10-6;/h6,10H,2-5H2,1H3,(H,9,12);1H/t6-;/m1./s1
InChIKeyKBXAUWPEKBZJAB-FYZOBXCZSA-N
XLogP-0.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(4S)-1,3-thiazolidine-4-carbonyl]amino]acetate;hydrochloride?
The IUPAC name of ethyl 2-[[(4S)-1,3-thiazolidine-4-carbonyl]amino]acetate;hydrochloride (CID 119279987) is ethyl 2-[[(4S)-1,3-thiazolidine-4-carbonyl]amino]acetate;hydrochloride.
What is the SMILES notation for ethyl 2-[[(4S)-1,3-thiazolidine-4-carbonyl]amino]acetate;hydrochloride?
The canonical SMILES for ethyl 2-[[(4S)-1,3-thiazolidine-4-carbonyl]amino]acetate;hydrochloride is CCOC(=O)CNC(=O)[C@H]1CSCN1.Cl.
What is the InChIKey of ethyl 2-[[(4S)-1,3-thiazolidine-4-carbonyl]amino]acetate;hydrochloride?
The InChIKey is KBXAUWPEKBZJAB-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H14N2O3S.ClH/c1-2-13-7(11)3-9-8(12)6-4-14-5-10-6;/h6,10H,2-5H2,1H3,(H,9,12);1H/t6-;/m1./s1.
What are the key properties of ethyl 2-[[(4S)-1,3-thiazolidine-4-carbonyl]amino]acetate;hydrochloride?
ethyl 2-[[(4S)-1,3-thiazolidine-4-carbonyl]amino]acetate;hydrochloride has a molecular weight of 254.74 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(4S)-1,3-thiazolidine-4-carbonyl]amino]acetate;hydrochloride is sourced from PubChem (CID 119279987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).