3-amino-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid

C11H16N4O3 — CID 107322936

IUPAC3-amino-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C(=O)CCn2cccn2)C1
InChIInChI=1S/C11H16N4O3/c12-11(10(17)18)3-7-14(8-11)9(16)2-6-15-5-1-4-13-15/h1,4-5H,2-3,6-8,12H2,(H,17,18)
InChIKeyIRQQUNJFIDFUJJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.71
Rot. Bonds4

About 3-amino-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid

3-amino-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid (PubChem CID 107322936) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-amino-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid
PubChem CID107322936
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name3-amino-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C(=O)CCn2cccn2)C1
InChIInChI=1S/C11H16N4O3/c12-11(10(17)18)3-7-14(8-11)9(16)2-6-15-5-1-4-13-15/h1,4-5H,2-3,6-8,12H2,(H,17,18)
InChIKeyIRQQUNJFIDFUJJ-UHFFFAOYSA-N
XLogP-0.71
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-(2-pyrazol-1-ylacetyl)pyrrolidine-3-carboxylic acid
CID 107323394
3-amino-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 107323391
1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one
CID 176931568
1-(4-propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 71934218
(3S)-3-phenyl-1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-3-carboxylic acid
CID 125166682
(3S)-3-methyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-3-carboxylic acid
CID 124755509
(3S)-3-[(2-phenylphenyl)methyl]-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide
CID 92575779
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 43501387
1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 119410423
3-amino-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 56716705
7-(cyclohexylmethyl)-2-(3-pyrazol-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45225712
1-[3-(triazol-1-yl)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709415

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid (CID 107322936) is 3-amino-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(C(=O)CCn2cccn2)C1.
What is the InChIKey of 3-amino-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is IRQQUNJFIDFUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c12-11(10(17)18)3-7-14(8-11)9(16)2-6-15-5-1-4-13-15/h1,4-5H,2-3,6-8,12H2,(H,17,18).
What are the key properties of 3-amino-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107322936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).