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

C13H21N5O3 — CID 106303746

IUPAC2-ethyl-1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCn1cnnc1CNC(=O)N1CCCC1(CC)C(=O)O
InChIInChI=1S/C13H21N5O3/c1-3-13(11(19)20)6-5-7-18(13)12(21)14-8-10-16-15-9-17(10)4-2/h9H,3-8H2,1-2H3,(H,14,21)(H,19,20)
InChIKeyASAJMHBZPBFRDC-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.84
Rot. Bonds5

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

2-ethyl-1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 106303746) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-ethyl-1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID106303746
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name2-ethyl-1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCn1cnnc1CNC(=O)N1CCCC1(CC)C(=O)O
InChIInChI=1S/C13H21N5O3/c1-3-13(11(19)20)6-5-7-18(13)12(21)14-8-10-16-15-9-17(10)4-2/h9H,3-8H2,1-2H3,(H,14,21)(H,19,20)
InChIKeyASAJMHBZPBFRDC-UHFFFAOYSA-N
XLogP0.84
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-1-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 83064829
1-[[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 114170931
2-ethyl-1-[(4-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 83061006
2-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 83071216
2-ethyl-1-(1,2-oxazol-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83070554
2-[1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentyl]acetic acid
CID 106303744
2-ethyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 114701453
2-ethyl-1-(thiophen-2-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83071359
1-[(3-chlorophenyl)methylcarbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83064334
1-[(2-chlorophenyl)methylcarbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83060928
1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1,4-dicarboxamide
CID 154774046
2-ethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 106382880

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 106303746) is 2-ethyl-1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is CCn1cnnc1CNC(=O)N1CCCC1(CC)C(=O)O.
What is the InChIKey of 2-ethyl-1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ASAJMHBZPBFRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-3-13(11(19)20)6-5-7-18(13)12(21)14-8-10-16-15-9-17(10)4-2/h9H,3-8H2,1-2H3,(H,14,21)(H,19,20).
What are the key properties of 2-ethyl-1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
2-ethyl-1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106303746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).