3-[[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]pentanoic acid

C11H18N4O3 — CID 81063659

IUPAC3-[[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]pentanoic acid
SMILESCCc1nc(C(=O)NCC(CC)CC(=O)O)n[nH]1
InChIInChI=1S/C11H18N4O3/c1-3-7(5-9(16)17)6-12-11(18)10-13-8(4-2)14-15-10/h7H,3-6H2,1-2H3,(H,12,18)(H,16,17)(H,13,14,15)
InChIKeyGOWZASVRRWHVOQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.60
Rot. Bonds7

About 3-[[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]pentanoic acid

3-[[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]pentanoic acid (PubChem CID 81063659) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]pentanoic acid
PubChem CID81063659
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name3-[[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]pentanoic acid
SMILESCCc1nc(C(=O)NCC(CC)CC(=O)O)n[nH]1
InChIInChI=1S/C11H18N4O3/c1-3-7(5-9(16)17)6-12-11(18)10-13-8(4-2)14-15-10/h7H,3-6H2,1-2H3,(H,12,18)(H,16,17)(H,13,14,15)
InChIKeyGOWZASVRRWHVOQ-UHFFFAOYSA-N
XLogP0.60
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(5-tert-butyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]pentanoic acid
CID 81065401
5-ethyl-N-(2-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-3-carboxamide
CID 107155420
N-(2,3-dimethoxypropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 114101659
N-(2-amino-2-methylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 115303347
5-ethyl-N-(4-hydroxybutyl)-1H-1,2,4-triazole-3-carboxamide
CID 106844104
3-[[(4-fluorobenzoyl)amino]methyl]pentanoic acid
CID 81066397
5-ethyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
CID 107319568
5-ethyl-N-octan-4-yl-1H-1,2,4-triazole-3-carboxamide
CID 114138257
3-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]pentanoic acid
CID 81067028
3-methoxy-4-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid
CID 103152362
3-[[(4-hydroxybenzoyl)amino]methyl]pentanoic acid
CID 81067009
3-[[(4-methylbenzoyl)amino]methyl]pentanoic acid
CID 81065864

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]pentanoic acid (CID 81063659) is 3-[[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]pentanoic acid is CCc1nc(C(=O)NCC(CC)CC(=O)O)n[nH]1.
What is the InChIKey of 3-[[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is GOWZASVRRWHVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-3-7(5-9(16)17)6-12-11(18)10-13-8(4-2)14-15-10/h7H,3-6H2,1-2H3,(H,12,18)(H,16,17)(H,13,14,15).
What are the key properties of 3-[[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]pentanoic acid?
3-[[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 254.29 g/mol, XLogP of 0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 81063659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).