ethyl 2-amino-2-(2-methyl-1,3-thiazol-5-yl)propanoate

C9H14N2O2S — CID 118318113

IUPACethyl 2-amino-2-(2-methyl-1,3-thiazol-5-yl)propanoate
SMILESCCOC(=O)C(C)(N)c1cnc(C)s1
InChIInChI=1S/C9H14N2O2S/c1-4-13-8(12)9(3,10)7-5-11-6(2)14-7/h5H,4,10H2,1-3H3
InChIKeyAASDKZHHNBWSPV-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.19
Rot. Bonds3

About ethyl 2-amino-2-(2-methyl-1,3-thiazol-5-yl)propanoate

ethyl 2-amino-2-(2-methyl-1,3-thiazol-5-yl)propanoate (PubChem CID 118318113) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is ethyl 2-amino-2-(2-methyl-1,3-thiazol-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-(2-methyl-1,3-thiazol-5-yl)propanoate
PubChem CID118318113
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Nameethyl 2-amino-2-(2-methyl-1,3-thiazol-5-yl)propanoate
SMILESCCOC(=O)C(C)(N)c1cnc(C)s1
InChIInChI=1S/C9H14N2O2S/c1-4-13-8(12)9(3,10)7-5-11-6(2)14-7/h5H,4,10H2,1-3H3
InChIKeyAASDKZHHNBWSPV-UHFFFAOYSA-N
XLogP1.19
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(2-methyl-1,3-thiazol-5-yl)propanoate?
The IUPAC name of ethyl 2-amino-2-(2-methyl-1,3-thiazol-5-yl)propanoate (CID 118318113) is ethyl 2-amino-2-(2-methyl-1,3-thiazol-5-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-2-(2-methyl-1,3-thiazol-5-yl)propanoate?
The canonical SMILES for ethyl 2-amino-2-(2-methyl-1,3-thiazol-5-yl)propanoate is CCOC(=O)C(C)(N)c1cnc(C)s1.
What is the InChIKey of ethyl 2-amino-2-(2-methyl-1,3-thiazol-5-yl)propanoate?
The InChIKey is AASDKZHHNBWSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-4-13-8(12)9(3,10)7-5-11-6(2)14-7/h5H,4,10H2,1-3H3.
What are the key properties of ethyl 2-amino-2-(2-methyl-1,3-thiazol-5-yl)propanoate?
ethyl 2-amino-2-(2-methyl-1,3-thiazol-5-yl)propanoate has a molecular weight of 214.29 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-(2-methyl-1,3-thiazol-5-yl)propanoate is sourced from PubChem (CID 118318113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).