2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid

C10H15N3O3 — CID 43648205

IUPAC2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid
SMILESCc1cc(C)n(CC(=O)NC(C)C(=O)O)n1
InChIInChI=1S/C10H15N3O3/c1-6-4-7(2)13(12-6)5-9(14)11-8(3)10(15)16/h4,8H,5H2,1-3H3,(H,11,14)(H,15,16)
InChIKeyXBMPOYYUTLEKQN-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.09
Rot. Bonds4

About 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid

2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid (PubChem CID 43648205) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid
PubChem CID43648205
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid
SMILESCc1cc(C)n(CC(=O)NC(C)C(=O)O)n1
InChIInChI=1S/C10H15N3O3/c1-6-4-7(2)13(12-6)5-9(14)11-8(3)10(15)16/h4,8H,5H2,1-3H3,(H,11,14)(H,15,16)
InChIKeyXBMPOYYUTLEKQN-UHFFFAOYSA-N
XLogP0.09
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 43648215
2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
CID 19525814
(2R)-2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 79011206
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 43648199
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]butanoic acid
CID 43648238
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037208
(2S)-2-[[2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695239
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 573590
N-(2-aminopropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 63733136
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide
CID 113346964
2-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 47317448
2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 7447508

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid (CID 43648205) is 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid is Cc1cc(C)n(CC(=O)NC(C)C(=O)O)n1.
What is the InChIKey of 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid?
The InChIKey is XBMPOYYUTLEKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6-4-7(2)13(12-6)5-9(14)11-8(3)10(15)16/h4,8H,5H2,1-3H3,(H,11,14)(H,15,16).
What are the key properties of 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid?
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 43648205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).