2-amino-3-(2-ethenylpyrazol-3-yl)propanoic acid

C8H11N3O2 — CID 84768366

IUPAC2-amino-3-(2-ethenylpyrazol-3-yl)propanoic acid
SMILESC=Cn1nccc1CC(N)C(=O)O
InChIInChI=1S/C8H11N3O2/c1-2-11-6(3-4-10-11)5-7(9)8(12)13/h2-4,7H,1,5,9H2,(H,12,13)
InChIKeyJYNPMTOJCKJXAC-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.06
Rot. Bonds4

About 2-amino-3-(2-ethenylpyrazol-3-yl)propanoic acid

2-amino-3-(2-ethenylpyrazol-3-yl)propanoic acid (PubChem CID 84768366) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-amino-3-(2-ethenylpyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-ethenylpyrazol-3-yl)propanoic acid
PubChem CID84768366
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-amino-3-(2-ethenylpyrazol-3-yl)propanoic acid
SMILESC=Cn1nccc1CC(N)C(=O)O
InChIInChI=1S/C8H11N3O2/c1-2-11-6(3-4-10-11)5-7(9)8(12)13/h2-4,7H,1,5,9H2,(H,12,13)
InChIKeyJYNPMTOJCKJXAC-UHFFFAOYSA-N
XLogP-0.06
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(2-methylpyrazol-3-yl)propanoic acid;3-(2-methylpyrazol-3-yl)-2-oxopropanoic acid
CID 158555863
3-(2-ethenylpyrazol-3-yl)butanoic acid
CID 84768120
(2R)-2-amino-3-(1,2-oxazol-5-yl)propanoic acid
CID 93495290
(2S)-2-amino-3-(1-ethenylimidazol-4-yl)propanoic acid
CID 57166193
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]pent-4-enamide
CID 103006628
sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
CID 174870632
(2S)-2-amino-3-(3-methylimidazol-4-yl)propanoic acid
CID 67703673
2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid
CID 64772542
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
1-(2-ethenylpyrazol-3-yl)-2-(methylamino)ethanone
CID 84764922
2-amino-3-(2-bromo-3-methylimidazol-4-yl)propanoic acid
CID 83900196
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-ethenylpyrazol-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(2-ethenylpyrazol-3-yl)propanoic acid (CID 84768366) is 2-amino-3-(2-ethenylpyrazol-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-ethenylpyrazol-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-ethenylpyrazol-3-yl)propanoic acid is C=Cn1nccc1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(2-ethenylpyrazol-3-yl)propanoic acid?
The InChIKey is JYNPMTOJCKJXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-2-11-6(3-4-10-11)5-7(9)8(12)13/h2-4,7H,1,5,9H2,(H,12,13).
What are the key properties of 2-amino-3-(2-ethenylpyrazol-3-yl)propanoic acid?
2-amino-3-(2-ethenylpyrazol-3-yl)propanoic acid has a molecular weight of 181.19 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-ethenylpyrazol-3-yl)propanoic acid is sourced from PubChem (CID 84768366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).