2-amino-2-(1-ethylpyrazol-4-yl)acetic acid

C7H11N3O2 — CID 83873853

IUPAC2-amino-2-(1-ethylpyrazol-4-yl)acetic acid
SMILESCCn1cc(C(N)C(=O)O)cn1
InChIInChI=1S/C7H11N3O2/c1-2-10-4-5(3-9-10)6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)
InChIKeyCBOFELYGNNBVOT-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.01
Rot. Bonds3

About 2-amino-2-(1-ethylpyrazol-4-yl)acetic acid

2-amino-2-(1-ethylpyrazol-4-yl)acetic acid (PubChem CID 83873853) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-amino-2-(1-ethylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(1-ethylpyrazol-4-yl)acetic acid
PubChem CID83873853
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-amino-2-(1-ethylpyrazol-4-yl)acetic acid
SMILESCCn1cc(C(N)C(=O)O)cn1
InChIInChI=1S/C7H11N3O2/c1-2-10-4-5(3-9-10)6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)
InChIKeyCBOFELYGNNBVOT-UHFFFAOYSA-N
XLogP-0.01
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(1-propylpyrazol-4-yl)acetamide
CID 103572056
2-[(1-ethylpyrazol-4-yl)-hydroxymethyl]-3-methylbutanoic acid
CID 103570644
methyl 2-amino-2-(1-propylpyrazol-4-yl)acetate
CID 103572127
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
2-amino-1-(1-ethylpyrazol-4-yl)butan-1-ol
CID 103570009
2-[acetyl(ethyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid
CID 103569944
2-amino-N-(1-ethylpyrazol-4-yl)-2-phenylacetamide
CID 43543649
4-chloro-4-(1-ethylpyrazol-4-yl)butanoic acid
CID 103571317
4-(1-ethylpyrazol-4-yl)-4-hydroxy-3-methylbutanoic acid
CID 103570340
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
2-[1-(1-ethylpyrazol-4-yl)ethyl-methylamino]acetic acid
CID 65056387
4-amino-3-(1-ethylpyrazol-4-yl)pentan-1-ol
CID 103570897

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-ethylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-amino-2-(1-ethylpyrazol-4-yl)acetic acid (CID 83873853) is 2-amino-2-(1-ethylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(1-ethylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-amino-2-(1-ethylpyrazol-4-yl)acetic acid is CCn1cc(C(N)C(=O)O)cn1.
What is the InChIKey of 2-amino-2-(1-ethylpyrazol-4-yl)acetic acid?
The InChIKey is CBOFELYGNNBVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-2-10-4-5(3-9-10)6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12).
What are the key properties of 2-amino-2-(1-ethylpyrazol-4-yl)acetic acid?
2-amino-2-(1-ethylpyrazol-4-yl)acetic acid has a molecular weight of 169.18 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-ethylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 83873853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).