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

C10H17N3O2 — CID 83089708

IUPACethyl (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
SMILESCCOC(=O)C[C@@H](N)c1cn(C)nc1C
InChIInChI=1S/C10H17N3O2/c1-4-15-10(14)5-9(11)8-6-13(3)12-7(8)2/h6,9H,4-5,11H2,1-3H3/t9-/m1/s1
InChIKeySTEUIKOTOVNWDQ-SECBINFHSA-N
MW211.26 g/mol
LogP0.68
Rot. Bonds4

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

ethyl (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate (PubChem CID 83089708) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate.

Molecular Properties

Compound Nameethyl (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
PubChem CID83089708
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nameethyl (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
SMILESCCOC(=O)C[C@@H](N)c1cn(C)nc1C
InChIInChI=1S/C10H17N3O2/c1-4-15-10(14)5-9(11)8-6-13(3)12-7(8)2/h6,9H,4-5,11H2,1-3H3/t9-/m1/s1
InChIKeySTEUIKOTOVNWDQ-SECBINFHSA-N
XLogP0.68
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate?
The IUPAC name of ethyl (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate (CID 83089708) is ethyl (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate.
What is the SMILES notation for ethyl (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate?
The canonical SMILES for ethyl (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate is CCOC(=O)C[C@@H](N)c1cn(C)nc1C.
What is the InChIKey of ethyl (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate?
The InChIKey is STEUIKOTOVNWDQ-SECBINFHSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-15-10(14)5-9(11)8-6-13(3)12-7(8)2/h6,9H,4-5,11H2,1-3H3/t9-/m1/s1.
What are the key properties of ethyl (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate?
ethyl (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate has a molecular weight of 211.26 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate is sourced from PubChem (CID 83089708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).