3-amino-1-(2-pyrazol-1-ylacetyl)pyrrolidine-3-carboxylic acid

C10H14N4O3 — CID 107323394

IUPAC3-amino-1-(2-pyrazol-1-ylacetyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C(=O)Cn2cccn2)C1
InChIInChI=1S/C10H14N4O3/c11-10(9(16)17)2-5-13(7-10)8(15)6-14-4-1-3-12-14/h1,3-4H,2,5-7,11H2,(H,16,17)
InChIKeyNNGZAWNOUOUDMY-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.10
Rot. Bonds3

About 3-amino-1-(2-pyrazol-1-ylacetyl)pyrrolidine-3-carboxylic acid

3-amino-1-(2-pyrazol-1-ylacetyl)pyrrolidine-3-carboxylic acid (PubChem CID 107323394) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-amino-1-(2-pyrazol-1-ylacetyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(2-pyrazol-1-ylacetyl)pyrrolidine-3-carboxylic acid
PubChem CID107323394
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name3-amino-1-(2-pyrazol-1-ylacetyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C(=O)Cn2cccn2)C1
InChIInChI=1S/C10H14N4O3/c11-10(9(16)17)2-5-13(7-10)8(15)6-14-4-1-3-12-14/h1,3-4H,2,5-7,11H2,(H,16,17)
InChIKeyNNGZAWNOUOUDMY-UHFFFAOYSA-N
XLogP-1.10
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 107322936
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone
CID 103726876
4-ethyl-1-(2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid
CID 63125421
3-methyl-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylic acid
CID 55165297
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone
CID 80707191
1-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 124641160
3-amino-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 107323391
3-amino-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 56716705
2-methyl-4-(2-pyrazol-1-ylacetyl)morpholine-2-carboxamide
CID 73439576
1-[(3R)-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 124949348
1-piperazin-1-yl-2-pyrazol-1-ylethanone
CID 23070038
3-amino-1-[2-(2-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 107323165

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-pyrazol-1-ylacetyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(2-pyrazol-1-ylacetyl)pyrrolidine-3-carboxylic acid (CID 107323394) is 3-amino-1-(2-pyrazol-1-ylacetyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(2-pyrazol-1-ylacetyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(2-pyrazol-1-ylacetyl)pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(C(=O)Cn2cccn2)C1.
What is the InChIKey of 3-amino-1-(2-pyrazol-1-ylacetyl)pyrrolidine-3-carboxylic acid?
The InChIKey is NNGZAWNOUOUDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-10(9(16)17)2-5-13(7-10)8(15)6-14-4-1-3-12-14/h1,3-4H,2,5-7,11H2,(H,16,17).
What are the key properties of 3-amino-1-(2-pyrazol-1-ylacetyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(2-pyrazol-1-ylacetyl)pyrrolidine-3-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of -1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-pyrazol-1-ylacetyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107323394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).