ethyl (3R)-3-amino-3-(1,3-thiazol-4-yl)propanoate

C8H12N2O2S — CID 104862982

IUPACethyl (3R)-3-amino-3-(1,3-thiazol-4-yl)propanoate
SMILESCCOC(=O)C[C@@H](N)c1cscn1
InChIInChI=1S/C8H12N2O2S/c1-2-12-8(11)3-6(9)7-4-13-5-10-7/h4-6H,2-3,9H2,1H3/t6-/m1/s1
InChIKeyDRHWQKIZKXHGIC-ZCFIWIBFSA-N
MW200.26 g/mol
LogP1.10
Rot. Bonds4

About ethyl (3R)-3-amino-3-(1,3-thiazol-4-yl)propanoate

ethyl (3R)-3-amino-3-(1,3-thiazol-4-yl)propanoate (PubChem CID 104862982) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is ethyl (3R)-3-amino-3-(1,3-thiazol-4-yl)propanoate.

Molecular Properties

Compound Nameethyl (3R)-3-amino-3-(1,3-thiazol-4-yl)propanoate
PubChem CID104862982
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Nameethyl (3R)-3-amino-3-(1,3-thiazol-4-yl)propanoate
SMILESCCOC(=O)C[C@@H](N)c1cscn1
InChIInChI=1S/C8H12N2O2S/c1-2-12-8(11)3-6(9)7-4-13-5-10-7/h4-6H,2-3,9H2,1H3/t6-/m1/s1
InChIKeyDRHWQKIZKXHGIC-ZCFIWIBFSA-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

ethyl (3S)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoate
CID 104862981
ethyl (3R)-3-amino-3-(5-methyl-2-pyridinyl)propanoate
CID 81311502
ethyl (3R)-3-amino-3-(2-methylpyrimidin-4-yl)propanoate
CID 115527131
2-fluoro-1-(1,3-thiazol-4-yl)ethanamine
CID 83815268
ethyl (3S)-3-amino-3-(2H-triazol-4-yl)propanoate
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ethyl (3S)-3-amino-3-thiophen-3-ylpropanoate
CID 29059787
ethyl (3S)-3-amino-3-(2H-triazol-4-yl)propanoate;hydrochloride
CID 86758024
ethyl (3R)-3-amino-3-[2-(2,6-dimethylphenyl)-1,3-thiazol-4-yl]propanoate
CID 176789649
ethyl 3-amino-3-quinolin-2-ylpropanoate
CID 64955956
ethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate
CID 79584174
ethyl (3S)-3-amino-3-(3,5-dimethylphenyl)propanoate
CID 78974740
[2-ethoxy-1-(1,3-thiazol-4-yl)ethyl]phosphonic acid
CID 174776485

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-amino-3-(1,3-thiazol-4-yl)propanoate?
The IUPAC name of ethyl (3R)-3-amino-3-(1,3-thiazol-4-yl)propanoate (CID 104862982) is ethyl (3R)-3-amino-3-(1,3-thiazol-4-yl)propanoate.
What is the SMILES notation for ethyl (3R)-3-amino-3-(1,3-thiazol-4-yl)propanoate?
The canonical SMILES for ethyl (3R)-3-amino-3-(1,3-thiazol-4-yl)propanoate is CCOC(=O)C[C@@H](N)c1cscn1.
What is the InChIKey of ethyl (3R)-3-amino-3-(1,3-thiazol-4-yl)propanoate?
The InChIKey is DRHWQKIZKXHGIC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-2-12-8(11)3-6(9)7-4-13-5-10-7/h4-6H,2-3,9H2,1H3/t6-/m1/s1.
What are the key properties of ethyl (3R)-3-amino-3-(1,3-thiazol-4-yl)propanoate?
ethyl (3R)-3-amino-3-(1,3-thiazol-4-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 (3R)-3-amino-3-(1,3-thiazol-4-yl)propanoate is sourced from PubChem (CID 104862982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).