ethyl (3S)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoate

C9H14N2O2S — CID 104862981

IUPACethyl (3S)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoate
SMILESCCOC(=O)C[C@H](N)c1csc(C)n1
InChIInChI=1S/C9H14N2O2S/c1-3-13-9(12)4-7(10)8-5-14-6(2)11-8/h5,7H,3-4,10H2,1-2H3/t7-/m0/s1
InChIKeyDANBMXVUTFEWSA-ZETCQYMHSA-N
MW214.29 g/mol
LogP1.40
Rot. Bonds4

About ethyl (3S)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoate

ethyl (3S)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoate (PubChem CID 104862981) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is ethyl (3S)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoate.

Molecular Properties

Compound Nameethyl (3S)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoate
PubChem CID104862981
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Nameethyl (3S)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoate
SMILESCCOC(=O)C[C@H](N)c1csc(C)n1
InChIInChI=1S/C9H14N2O2S/c1-3-13-9(12)4-7(10)8-5-14-6(2)11-8/h5,7H,3-4,10H2,1-2H3/t7-/m0/s1
InChIKeyDANBMXVUTFEWSA-ZETCQYMHSA-N
XLogP1.40
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CID 55270490
ethyl (3R)-3-amino-3-[2-(2,6-dimethylphenyl)-1,3-thiazol-4-yl]propanoate
CID 176789649
ethyl (3R)-3-amino-3-(1,3-thiazol-4-yl)propanoate
CID 104862982
(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine
CID 55296429
ethyl (3R)-3-amino-3-(2-methylpyrimidin-4-yl)propanoate
CID 115527131
ethyl (3S)-3-amino-3-(2H-triazol-4-yl)propanoate
CID 86758025
1-(2-methyl-1,3-thiazol-4-yl)heptan-1-amine
CID 105126219
ethyl (2R)-2-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethylsulfanyl)acetate
CID 125472442
ethyl 3-amino-3-quinolin-2-ylpropanoate
CID 64955956
(1R)-2-amino-1-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 28819519
3,3,3-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 112693223
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-amine
CID 105182629

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoate?
The IUPAC name of ethyl (3S)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoate (CID 104862981) is ethyl (3S)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoate.
What is the SMILES notation for ethyl (3S)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoate?
The canonical SMILES for ethyl (3S)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoate is CCOC(=O)C[C@H](N)c1csc(C)n1.
What is the InChIKey of ethyl (3S)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoate?
The InChIKey is DANBMXVUTFEWSA-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-13-9(12)4-7(10)8-5-14-6(2)11-8/h5,7H,3-4,10H2,1-2H3/t7-/m0/s1.
What are the key properties of ethyl (3S)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoate?
ethyl (3S)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoate has a molecular weight of 214.29 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoate is sourced from PubChem (CID 104862981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).