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

C11H17N5O3 — CID 83070331

IUPAC2-ethyl-1-[(2-methyl-1,2,4-triazol-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)Nc1ncnn1C
InChIInChI=1S/C11H17N5O3/c1-3-11(8(17)18)5-4-6-16(11)10(19)14-9-12-7-13-15(9)2/h7H,3-6H2,1-2H3,(H,17,18)(H,12,13,14,19)
InChIKeyFQWFTKKKXWWOJK-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.68
Rot. Bonds3

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

2-ethyl-1-[(2-methyl-1,2,4-triazol-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 83070331) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-ethyl-1-[(2-methyl-1,2,4-triazol-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-[(2-methyl-1,2,4-triazol-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID83070331
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name2-ethyl-1-[(2-methyl-1,2,4-triazol-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)Nc1ncnn1C
InChIInChI=1S/C11H17N5O3/c1-3-11(8(17)18)5-4-6-16(11)10(19)14-9-12-7-13-15(9)2/h7H,3-6H2,1-2H3,(H,17,18)(H,12,13,14,19)
InChIKeyFQWFTKKKXWWOJK-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(2-methyl-1,2,4-triazol-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-[(2-methyl-1,2,4-triazol-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 83070331) is 2-ethyl-1-[(2-methyl-1,2,4-triazol-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-[(2-methyl-1,2,4-triazol-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-[(2-methyl-1,2,4-triazol-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)Nc1ncnn1C.
What is the InChIKey of 2-ethyl-1-[(2-methyl-1,2,4-triazol-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is FQWFTKKKXWWOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-3-11(8(17)18)5-4-6-16(11)10(19)14-9-12-7-13-15(9)2/h7H,3-6H2,1-2H3,(H,17,18)(H,12,13,14,19).
What are the key properties of 2-ethyl-1-[(2-methyl-1,2,4-triazol-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
2-ethyl-1-[(2-methyl-1,2,4-triazol-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(2-methyl-1,2,4-triazol-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83070331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).