ethyl 3-amino-3-(1,3-thiazol-2-yl)propanoate

C8H12N2O2S — CID 115769441

IUPACethyl 3-amino-3-(1,3-thiazol-2-yl)propanoate
SMILESCCOC(=O)CC(N)c1nccs1
InChIInChI=1S/C8H12N2O2S/c1-2-12-7(11)5-6(9)8-10-3-4-13-8/h3-4,6H,2,5,9H2,1H3
InChIKeyHBFINLQIDTZUEH-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.10
Rot. Bonds4

About ethyl 3-amino-3-(1,3-thiazol-2-yl)propanoate

ethyl 3-amino-3-(1,3-thiazol-2-yl)propanoate (PubChem CID 115769441) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is ethyl 3-amino-3-(1,3-thiazol-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-amino-3-(1,3-thiazol-2-yl)propanoate
PubChem CID115769441
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Nameethyl 3-amino-3-(1,3-thiazol-2-yl)propanoate
SMILESCCOC(=O)CC(N)c1nccs1
InChIInChI=1S/C8H12N2O2S/c1-2-12-7(11)5-6(9)8-10-3-4-13-8/h3-4,6H,2,5,9H2,1H3
InChIKeyHBFINLQIDTZUEH-UHFFFAOYSA-N
XLogP1.10
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

beta-(2-Thiazolyl)-DL-alanine
CID 4684973
ethyl (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-thiazol-2-yl-propanoate
CID 485049
3-Amino-3-(1,3-thiazol-2-yl)propanoic acid
CID 70397200
3-([(Tert-butoxy)carbonyl]amino)-3-(1,3-thiazol-2-YL)propanoic acid
CID 104077556
3-Amino-3-(1,3-thiazol-2-yl)propanoic acid dihydrochloride
CID 137964139
Ethyl 3-amino-3-(1,3-thiazol-2-yl)propanoate dihydrochloride
CID 137964379
ethyl 3-[[(R)-tert-butylsulfinyl]amino]-2,2-difluoro-3-(1,3-thiazol-2-yl)propanoate
CID 11089097
(2S)-2-amino-3-(1,3-thiazol-2-yl)propanoic acid
CID 7017952
Ethyl (1,3-thiazol-2-yl)acetate
CID 21835228
Ethyl 2-amino-2-(1,3-thiazol-2-yl)acetate
CID 53765876
methyl (3R)-3-amino-3-(1,3-thiazol-2-yl)propanoate
CID 25216257
methyl (2S)-2-amino-3-(1,3-thiazol-2-yl)propanoate dihydrochloride
CID 176431835

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-3-(1,3-thiazol-2-yl)propanoate?
The IUPAC name of ethyl 3-amino-3-(1,3-thiazol-2-yl)propanoate (CID 115769441) is ethyl 3-amino-3-(1,3-thiazol-2-yl)propanoate.
What is the SMILES notation for ethyl 3-amino-3-(1,3-thiazol-2-yl)propanoate?
The canonical SMILES for ethyl 3-amino-3-(1,3-thiazol-2-yl)propanoate is CCOC(=O)CC(N)c1nccs1.
What is the InChIKey of ethyl 3-amino-3-(1,3-thiazol-2-yl)propanoate?
The InChIKey is HBFINLQIDTZUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-2-12-7(11)5-6(9)8-10-3-4-13-8/h3-4,6H,2,5,9H2,1H3.
What are the key properties of ethyl 3-amino-3-(1,3-thiazol-2-yl)propanoate?
ethyl 3-amino-3-(1,3-thiazol-2-yl)propanoate has a molecular weight of 200.26 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-3-(1,3-thiazol-2-yl)propanoate is sourced from PubChem (CID 115769441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).