1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-2-ethylpyrrolidine-2-carboxylic acid

C13H20N4O3 — CID 83070877

IUPAC1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C13H20N4O3/c1-3-13(12(19)20)5-4-6-17(13)11(18)10(14)9-7-15-16(2)8-9/h7-8,10H,3-6,14H2,1-2H3,(H,19,20)
InChIKeyXINCZRYOSGINEV-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.28
Rot. Bonds4

About 1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-2-ethylpyrrolidine-2-carboxylic acid

1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-2-ethylpyrrolidine-2-carboxylic acid (PubChem CID 83070877) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-2-ethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-2-ethylpyrrolidine-2-carboxylic acid
PubChem CID83070877
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C13H20N4O3/c1-3-13(12(19)20)5-4-6-17(13)11(18)10(14)9-7-15-16(2)8-9/h7-8,10H,3-6,14H2,1-2H3,(H,19,20)
InChIKeyXINCZRYOSGINEV-UHFFFAOYSA-N
XLogP0.28
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(4,4-diethylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 115290675
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 115290674
1-(1,3-dimethylpyrazole-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 102801358
1-[(2R)-2-amino-3,3-dimethylbutanoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 113353589
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142
1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid
CID 130575386
1-[(2S)-2-amino-3-cyclopropylpropanoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 112735416
1-[[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436333
1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070500
2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115360077
1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102780342

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-2-ethylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-2-ethylpyrrolidine-2-carboxylic acid (CID 83070877) is 1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-2-ethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-2-ethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-2-ethylpyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)C(N)c1cnn(C)c1.
What is the InChIKey of 1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-2-ethylpyrrolidine-2-carboxylic acid?
The InChIKey is XINCZRYOSGINEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-13(12(19)20)5-4-6-17(13)11(18)10(14)9-7-15-16(2)8-9/h7-8,10H,3-6,14H2,1-2H3,(H,19,20).
What are the key properties of 1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-2-ethylpyrrolidine-2-carboxylic acid?
1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-2-ethylpyrrolidine-2-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-2-ethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83070877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).