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

C11H16N4O5 — CID 82786211

IUPAC2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
SMILESCCc1nc(C(=O)NC(CCC(=O)OC)C(=O)O)n[nH]1
InChIInChI=1S/C11H16N4O5/c1-3-7-13-9(15-14-7)10(17)12-6(11(18)19)4-5-8(16)20-2/h6H,3-5H2,1-2H3,(H,12,17)(H,18,19)(H,13,14,15)
InChIKeyJFWCSHCEFAQHON-UHFFFAOYSA-N
MW284.27 g/mol
LogP-0.50
Rot. Bonds7

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

2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid (PubChem CID 82786211) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
PubChem CID82786211
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Name2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
SMILESCCc1nc(C(=O)NC(CCC(=O)OC)C(=O)O)n[nH]1
InChIInChI=1S/C11H16N4O5/c1-3-7-13-9(15-14-7)10(17)12-6(11(18)19)4-5-8(16)20-2/h6H,3-5H2,1-2H3,(H,12,17)(H,18,19)(H,13,14,15)
InChIKeyJFWCSHCEFAQHON-UHFFFAOYSA-N
XLogP-0.50
TPSA134.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid with MolForge

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Related Compounds

(2S)-5-ethoxy-2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-oxopentanoic acid
CID 107039200
5-methoxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-oxopentanoic acid
CID 82786590
(2S)-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820399
(2R)-4-hydroxy-2-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid
CID 114005016
(2R)-4-hydroxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid
CID 107822795
(2S)-5-methoxy-5-oxo-2-(1H-pyrazole-5-carbonylamino)pentanoic acid
CID 107820339
5-ethyl-N-octan-4-yl-1H-1,2,4-triazole-3-carboxamide
CID 114138257
(2S)-2-benzamido-5-methoxy-5-oxopentanoic acid
CID 10923432
5-methoxy-2-[(4-methoxybenzoyl)amino]-5-oxopentanoic acid
CID 82780991
2-[(5-ethylthiophene-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82787407
(2S)-2-[(2,6-difluorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820162
(2R)-2-[(2,6-difluorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820571

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of 2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid (CID 82786211) is 2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for 2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for 2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid is CCc1nc(C(=O)NC(CCC(=O)OC)C(=O)O)n[nH]1.
What is the InChIKey of 2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is JFWCSHCEFAQHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5/c1-3-7-13-9(15-14-7)10(17)12-6(11(18)19)4-5-8(16)20-2/h6H,3-5H2,1-2H3,(H,12,17)(H,18,19)(H,13,14,15).
What are the key properties of 2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid?
2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 284.27 g/mol, XLogP of -0.50, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 82786211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).