ethyl 2-amino-3-(4-methylpyrazol-1-yl)propanoate

C9H15N3O2 — CID 14186986

IUPACethyl 2-amino-3-(4-methylpyrazol-1-yl)propanoate
SMILESCCOC(=O)C(N)Cn1cc(C)cn1
InChIInChI=1S/C9H15N3O2/c1-3-14-9(13)8(10)6-12-5-7(2)4-11-12/h4-5,8H,3,6,10H2,1-2H3
InChIKeyOQLAUJSOMHFCEU-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.08
Rot. Bonds4

About ethyl 2-amino-3-(4-methylpyrazol-1-yl)propanoate

ethyl 2-amino-3-(4-methylpyrazol-1-yl)propanoate (PubChem CID 14186986) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is ethyl 2-amino-3-(4-methylpyrazol-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(4-methylpyrazol-1-yl)propanoate
PubChem CID14186986
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Nameethyl 2-amino-3-(4-methylpyrazol-1-yl)propanoate
SMILESCCOC(=O)C(N)Cn1cc(C)cn1
InChIInChI=1S/C9H15N3O2/c1-3-14-9(13)8(10)6-12-5-7(2)4-11-12/h4-5,8H,3,6,10H2,1-2H3
InChIKeyOQLAUJSOMHFCEU-UHFFFAOYSA-N
XLogP0.08
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(4-methylpyrazol-1-yl)propanoate?
The IUPAC name of ethyl 2-amino-3-(4-methylpyrazol-1-yl)propanoate (CID 14186986) is ethyl 2-amino-3-(4-methylpyrazol-1-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(4-methylpyrazol-1-yl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(4-methylpyrazol-1-yl)propanoate is CCOC(=O)C(N)Cn1cc(C)cn1.
What is the InChIKey of ethyl 2-amino-3-(4-methylpyrazol-1-yl)propanoate?
The InChIKey is OQLAUJSOMHFCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-14-9(13)8(10)6-12-5-7(2)4-11-12/h4-5,8H,3,6,10H2,1-2H3.
What are the key properties of ethyl 2-amino-3-(4-methylpyrazol-1-yl)propanoate?
ethyl 2-amino-3-(4-methylpyrazol-1-yl)propanoate has a molecular weight of 197.24 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(4-methylpyrazol-1-yl)propanoate is sourced from PubChem (CID 14186986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).