1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid

C11H17N5O3 — CID 55151759

IUPAC1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC(NC(=O)N1CCC(C(=O)O)C1)c1nncn1C
InChIInChI=1S/C11H17N5O3/c1-7(9-14-12-6-15(9)2)13-11(19)16-4-3-8(5-16)10(17)18/h6-8H,3-5H2,1-2H3,(H,13,19)(H,17,18)
InChIKeyGZZOGZNQTSRQBJ-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.01
Rot. Bonds3

About 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid

1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 55151759) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID55151759
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC(NC(=O)N1CCC(C(=O)O)C1)c1nncn1C
InChIInChI=1S/C11H17N5O3/c1-7(9-14-12-6-15(9)2)13-11(19)16-4-3-8(5-16)10(17)18/h6-8H,3-5H2,1-2H3,(H,13,19)(H,17,18)
InChIKeyGZZOGZNQTSRQBJ-UHFFFAOYSA-N
XLogP-0.01
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid (CID 55151759) is 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid is CC(NC(=O)N1CCC(C(=O)O)C1)c1nncn1C.
What is the InChIKey of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is GZZOGZNQTSRQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-7(9-14-12-6-15(9)2)13-11(19)16-4-3-8(5-16)10(17)18/h6-8H,3-5H2,1-2H3,(H,13,19)(H,17,18).
What are the key properties of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid?
1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55151759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).