1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid

C10H15N5O3 — CID 113314176

IUPAC1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid
SMILESNCc1cn(CC(=O)N2CCC(C(=O)O)C2)nn1
InChIInChI=1S/C10H15N5O3/c11-3-8-5-15(13-12-8)6-9(16)14-2-1-7(4-14)10(17)18/h5,7H,1-4,6,11H2,(H,17,18)
InChIKeyCAYLWYOCOZYGGT-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.33
Rot. Bonds4

About 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid

1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 113314176) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid
PubChem CID113314176
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid
SMILESNCc1cn(CC(=O)N2CCC(C(=O)O)C2)nn1
InChIInChI=1S/C10H15N5O3/c11-3-8-5-15(13-12-8)6-9(16)14-2-1-7(4-14)10(17)18/h5,7H,1-4,6,11H2,(H,17,18)
InChIKeyCAYLWYOCOZYGGT-UHFFFAOYSA-N
XLogP-1.33
TPSA114.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide
CID 115458891
2-[4-(aminomethyl)triazol-1-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 115459483
ethyl 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-3-carboxylate
CID 115458921
2-[1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidin-4-yl]oxyacetic acid
CID 115459912
2-[4-(aminomethyl)triazol-1-yl]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 113314232
(2S,4S)-1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115459973
2-[4-(aminomethyl)triazol-1-yl]-1-cyclobutylethanone
CID 116599888
2-[4-(3-aminopropyl)triazol-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 106220762
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-6-methylpiperidine-3-carboxamide
CID 115459404
2-[4-(aminomethyl)triazol-1-yl]-1-(2-cyclopentylpyrrolidin-1-yl)ethanone
CID 115459724
2-[4-(aminomethyl)triazol-1-yl]-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone
CID 115460124
2-[4-(3-aminopropyl)triazol-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 106220969

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid (CID 113314176) is 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid is NCc1cn(CC(=O)N2CCC(C(=O)O)C2)nn1.
What is the InChIKey of 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is CAYLWYOCOZYGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c11-3-8-5-15(13-12-8)6-9(16)14-2-1-7(4-14)10(17)18/h5,7H,1-4,6,11H2,(H,17,18).
What are the key properties of 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid?
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 113314176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).