2-[acetyl(ethyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid

C11H17N3O3 — CID 103569944

IUPAC2-[acetyl(ethyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid
SMILESCCN(C(C)=O)C(C(=O)O)c1cnn(CC)c1
InChIInChI=1S/C11H17N3O3/c1-4-13-7-9(6-12-13)10(11(16)17)14(5-2)8(3)15/h6-7,10H,4-5H2,1-3H3,(H,16,17)
InChIKeyNQKOOQUSLMMARS-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.90
Rot. Bonds5

About 2-[acetyl(ethyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid

2-[acetyl(ethyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid (PubChem CID 103569944) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[acetyl(ethyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-[acetyl(ethyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid
PubChem CID103569944
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[acetyl(ethyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid
SMILESCCN(C(C)=O)C(C(=O)O)c1cnn(CC)c1
InChIInChI=1S/C11H17N3O3/c1-4-13-7-9(6-12-13)10(11(16)17)14(5-2)8(3)15/h6-7,10H,4-5H2,1-3H3,(H,16,17)
InChIKeyNQKOOQUSLMMARS-UHFFFAOYSA-N
XLogP0.90
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[acetyl(ethyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[acetyl(ethyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 63702731
2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid
CID 103569959
2-amino-2-(1-ethylpyrazol-4-yl)acetic acid
CID 83873853
2-[acetyl(ethyl)amino]-2-(3,5-dichlorophenyl)acetic acid
CID 63702733
2-[1-(1-ethylpyrazol-4-yl)ethyl-methylamino]acetic acid
CID 65056387
2-[(1-ethylpyrazol-4-yl)-hydroxymethyl]-3-methylbutanoic acid
CID 103570644
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]acetamide
CID 157036975
2-[acetyl(ethyl)amino]-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid
CID 66269528
4-chloro-4-(1-ethylpyrazol-4-yl)butanoic acid
CID 103571317
4-(1-ethylpyrazol-4-yl)-4-hydroxy-3-methylbutanoic acid
CID 103570340
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(ethyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-[acetyl(ethyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid (CID 103569944) is 2-[acetyl(ethyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-[acetyl(ethyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-[acetyl(ethyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid is CCN(C(C)=O)C(C(=O)O)c1cnn(CC)c1.
What is the InChIKey of 2-[acetyl(ethyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid?
The InChIKey is NQKOOQUSLMMARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-13-7-9(6-12-13)10(11(16)17)14(5-2)8(3)15/h6-7,10H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 2-[acetyl(ethyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid?
2-[acetyl(ethyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid has a molecular weight of 239.27 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(ethyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 103569944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).