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

C7H10N2O2S — CID 25216257

IUPACmethyl (3R)-3-amino-3-(1,3-thiazol-2-yl)propanoate
SMILESCOC(=O)C[C@@H](N)c1nccs1
InChIInChI=1S/C7H10N2O2S/c1-11-6(10)4-5(8)7-9-2-3-12-7/h2-3,5H,4,8H2,1H3/t5-/m1/s1
InChIKeyHDBZHSVAXIFWSH-RXMQYKEDSA-N
MW186.24 g/mol
LogP0.71
Rot. Bonds3

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

methyl (3R)-3-amino-3-(1,3-thiazol-2-yl)propanoate (PubChem CID 25216257) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is methyl (3R)-3-amino-3-(1,3-thiazol-2-yl)propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-amino-3-(1,3-thiazol-2-yl)propanoate
PubChem CID25216257
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Namemethyl (3R)-3-amino-3-(1,3-thiazol-2-yl)propanoate
SMILESCOC(=O)C[C@@H](N)c1nccs1
InChIInChI=1S/C7H10N2O2S/c1-11-6(10)4-5(8)7-9-2-3-12-7/h2-3,5H,4,8H2,1H3/t5-/m1/s1
InChIKeyHDBZHSVAXIFWSH-RXMQYKEDSA-N
XLogP0.71
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-3-(1,3-thiazol-2-yl)propanoate?
The IUPAC name of methyl (3R)-3-amino-3-(1,3-thiazol-2-yl)propanoate (CID 25216257) is methyl (3R)-3-amino-3-(1,3-thiazol-2-yl)propanoate.
What is the SMILES notation for methyl (3R)-3-amino-3-(1,3-thiazol-2-yl)propanoate?
The canonical SMILES for methyl (3R)-3-amino-3-(1,3-thiazol-2-yl)propanoate is COC(=O)C[C@@H](N)c1nccs1.
What is the InChIKey of methyl (3R)-3-amino-3-(1,3-thiazol-2-yl)propanoate?
The InChIKey is HDBZHSVAXIFWSH-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-11-6(10)4-5(8)7-9-2-3-12-7/h2-3,5H,4,8H2,1H3/t5-/m1/s1.
What are the key properties of methyl (3R)-3-amino-3-(1,3-thiazol-2-yl)propanoate?
methyl (3R)-3-amino-3-(1,3-thiazol-2-yl)propanoate has a molecular weight of 186.24 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-3-(1,3-thiazol-2-yl)propanoate is sourced from PubChem (CID 25216257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).