3-[ethyl(2H-triazole-4-carbonyl)amino]propanoic acid

C8H12N4O3 — CID 63283146

IUPAC3-[ethyl(2H-triazole-4-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cn[nH]n1
InChIInChI=1S/C8H12N4O3/c1-2-12(4-3-7(13)14)8(15)6-5-9-11-10-6/h5H,2-4H2,1H3,(H,13,14)(H,9,10,11)
InChIKeyUKZPFYRKBHOJJD-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.26
Rot. Bonds5

About 3-[ethyl(2H-triazole-4-carbonyl)amino]propanoic acid

3-[ethyl(2H-triazole-4-carbonyl)amino]propanoic acid (PubChem CID 63283146) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-[ethyl(2H-triazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl(2H-triazole-4-carbonyl)amino]propanoic acid
PubChem CID63283146
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name3-[ethyl(2H-triazole-4-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cn[nH]n1
InChIInChI=1S/C8H12N4O3/c1-2-12(4-3-7(13)14)8(15)6-5-9-11-10-6/h5H,2-4H2,1H3,(H,13,14)(H,9,10,11)
InChIKeyUKZPFYRKBHOJJD-UHFFFAOYSA-N
XLogP-0.26
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)propyl]-N-ethyl-2H-triazole-4-carboxamide
CID 102978833
N-ethyl-N-(2-methoxyethyl)-2H-triazole-4-carboxamide
CID 112733352
N,N-dihexyl-2H-triazole-4-carboxamide
CID 112733489
3-[(2-amino-1,3-thiazole-4-carbonyl)-ethylamino]propanoic acid
CID 62788466
3-[ethyl(quinoxaline-2-carbonyl)amino]propanoic acid
CID 61007107
3-[[4-(diethylcarbamoyl)benzoyl]-ethylamino]propanoic acid
CID 120685979
3-[ethyl-(2-phenyltriazole-4-carbonyl)amino]propanoic acid
CID 61007666
N-[(3,4-difluorophenyl)methyl]-N-ethyl-2H-triazole-4-carboxamide
CID 112733333
3-[ethyl-(4-fluorobenzoyl)amino]propanoic acid
CID 61006685
3-[(5-tert-butyl-1,2-oxazole-3-carbonyl)-ethylamino]propanoic acid
CID 119190915
N-ethyl-N-[(3-fluorophenyl)methyl]-2H-triazole-4-carboxamide
CID 47335109
3-[ethyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 61008278

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2H-triazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl(2H-triazole-4-carbonyl)amino]propanoic acid (CID 63283146) is 3-[ethyl(2H-triazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl(2H-triazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl(2H-triazole-4-carbonyl)amino]propanoic acid is CCN(CCC(=O)O)C(=O)c1cn[nH]n1.
What is the InChIKey of 3-[ethyl(2H-triazole-4-carbonyl)amino]propanoic acid?
The InChIKey is UKZPFYRKBHOJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-2-12(4-3-7(13)14)8(15)6-5-9-11-10-6/h5H,2-4H2,1H3,(H,13,14)(H,9,10,11).
What are the key properties of 3-[ethyl(2H-triazole-4-carbonyl)amino]propanoic acid?
3-[ethyl(2H-triazole-4-carbonyl)amino]propanoic acid has a molecular weight of 212.21 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2H-triazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 63283146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).