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

C7H10N2O2S — CID 57171667

IUPACmethyl (2R)-2-amino-2-(1,3-thiazol-4-yl)propanoate
SMILESCOC(=O)[C@](C)(N)c1cscn1
InChIInChI=1S/C7H10N2O2S/c1-7(8,6(10)11-2)5-3-12-4-9-5/h3-4H,8H2,1-2H3/t7-/m1/s1
InChIKeyYGBBQBJUFUUIEA-SSDOTTSWSA-N
MW186.24 g/mol
LogP0.49
Rot. Bonds2

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

methyl (2R)-2-amino-2-(1,3-thiazol-4-yl)propanoate (PubChem CID 57171667) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(1,3-thiazol-4-yl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(1,3-thiazol-4-yl)propanoate
PubChem CID57171667
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Namemethyl (2R)-2-amino-2-(1,3-thiazol-4-yl)propanoate
SMILESCOC(=O)[C@](C)(N)c1cscn1
InChIInChI=1S/C7H10N2O2S/c1-7(8,6(10)11-2)5-3-12-4-9-5/h3-4H,8H2,1-2H3/t7-/m1/s1
InChIKeyYGBBQBJUFUUIEA-SSDOTTSWSA-N
XLogP0.49
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-2-amino-2-(5-hydroxy-2-pyridinyl)propanoate
CID 130949057
methyl (2S)-2-amino-2-(4-methyl-2-pyridinyl)propanoate
CID 130689989
methyl 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propanoate
CID 75501528
2-(1,3-thiazol-4-yl)propan-2-ol
CID 91099145
2-propan-2-yloxy-2-(1,3-thiazol-4-yl)propanoic acid
CID 84681137
methyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride
CID 70073965
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
2-methoxy-2-(1,3-thiazol-4-yl)pent-4-ynoic acid
CID 146282714
methyl (2S)-2-amino-2-(2-bromo-4-pyridinyl)propanoate
CID 131080958
methyl (2S)-2-amino-2-(5-cyanothiophen-3-yl)propanoate
CID 131123203
methyl (2R)-2-amino-2-bromopropanoate
CID 87903437
methyl (2S)-2-amino-2-(3,4-dichlorophenyl)propanoate
CID 93311074

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(1,3-thiazol-4-yl)propanoate?
The IUPAC name of methyl (2R)-2-amino-2-(1,3-thiazol-4-yl)propanoate (CID 57171667) is methyl (2R)-2-amino-2-(1,3-thiazol-4-yl)propanoate.
What is the SMILES notation for methyl (2R)-2-amino-2-(1,3-thiazol-4-yl)propanoate?
The canonical SMILES for methyl (2R)-2-amino-2-(1,3-thiazol-4-yl)propanoate is COC(=O)[C@](C)(N)c1cscn1.
What is the InChIKey of methyl (2R)-2-amino-2-(1,3-thiazol-4-yl)propanoate?
The InChIKey is YGBBQBJUFUUIEA-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-7(8,6(10)11-2)5-3-12-4-9-5/h3-4H,8H2,1-2H3/t7-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2-(1,3-thiazol-4-yl)propanoate?
methyl (2R)-2-amino-2-(1,3-thiazol-4-yl)propanoate has a molecular weight of 186.24 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-(1,3-thiazol-4-yl)propanoate is sourced from PubChem (CID 57171667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).