ethyl (2R)-2-amino-2-(1,3-dimethylpyrazol-4-yl)propanoate

C10H17N3O2 — CID 125482052

IUPACethyl (2R)-2-amino-2-(1,3-dimethylpyrazol-4-yl)propanoate
SMILESCCOC(=O)[C@](C)(N)c1cn(C)nc1C
InChIInChI=1S/C10H17N3O2/c1-5-15-9(14)10(3,11)8-6-13(4)12-7(8)2/h6H,5,11H2,1-4H3/t10-/m1/s1
InChIKeyGTEUYOUGXXFZFK-SNVBAGLBSA-N
MW211.26 g/mol
LogP0.47
Rot. Bonds3

About ethyl (2R)-2-amino-2-(1,3-dimethylpyrazol-4-yl)propanoate

ethyl (2R)-2-amino-2-(1,3-dimethylpyrazol-4-yl)propanoate (PubChem CID 125482052) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl (2R)-2-amino-2-(1,3-dimethylpyrazol-4-yl)propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-amino-2-(1,3-dimethylpyrazol-4-yl)propanoate
PubChem CID125482052
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nameethyl (2R)-2-amino-2-(1,3-dimethylpyrazol-4-yl)propanoate
SMILESCCOC(=O)[C@](C)(N)c1cn(C)nc1C
InChIInChI=1S/C10H17N3O2/c1-5-15-9(14)10(3,11)8-6-13(4)12-7(8)2/h6H,5,11H2,1-4H3/t10-/m1/s1
InChIKeyGTEUYOUGXXFZFK-SNVBAGLBSA-N
XLogP0.47
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 82398437
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CID 83089787
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ethane;ethyl 2-bromo-2-methylpropanoate
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ethyl (2S)-2-amino-2-phenylpropanoate
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ethyl 2-amino-3-(4,5-dimethylimidazol-1-yl)-2-methylpropanoate
CID 62351128
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CID 66518191

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-2-(1,3-dimethylpyrazol-4-yl)propanoate?
The IUPAC name of ethyl (2R)-2-amino-2-(1,3-dimethylpyrazol-4-yl)propanoate (CID 125482052) is ethyl (2R)-2-amino-2-(1,3-dimethylpyrazol-4-yl)propanoate.
What is the SMILES notation for ethyl (2R)-2-amino-2-(1,3-dimethylpyrazol-4-yl)propanoate?
The canonical SMILES for ethyl (2R)-2-amino-2-(1,3-dimethylpyrazol-4-yl)propanoate is CCOC(=O)[C@](C)(N)c1cn(C)nc1C.
What is the InChIKey of ethyl (2R)-2-amino-2-(1,3-dimethylpyrazol-4-yl)propanoate?
The InChIKey is GTEUYOUGXXFZFK-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-5-15-9(14)10(3,11)8-6-13(4)12-7(8)2/h6H,5,11H2,1-4H3/t10-/m1/s1.
What are the key properties of ethyl (2R)-2-amino-2-(1,3-dimethylpyrazol-4-yl)propanoate?
ethyl (2R)-2-amino-2-(1,3-dimethylpyrazol-4-yl)propanoate has a molecular weight of 211.26 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-amino-2-(1,3-dimethylpyrazol-4-yl)propanoate is sourced from PubChem (CID 125482052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).