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

C10H14N4O5 — CID 82786590

IUPAC5-methoxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)c1n[nH]c(C)n1)C(=O)O
InChIInChI=1S/C10H14N4O5/c1-5-11-8(14-13-5)9(16)12-6(10(17)18)3-4-7(15)19-2/h6H,3-4H2,1-2H3,(H,12,16)(H,17,18)(H,11,13,14)
InChIKeyLVRMMFLKAAHWOE-UHFFFAOYSA-N
MW270.25 g/mol
LogP-0.75
Rot. Bonds6

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

5-methoxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 82786590) has the molecular formula C10H14N4O5 and a molecular weight of 270.25 g/mol. Its IUPAC name is 5-methoxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-oxopentanoic acid
PubChem CID82786590
Molecular FormulaC10H14N4O5
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name5-methoxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)c1n[nH]c(C)n1)C(=O)O
InChIInChI=1S/C10H14N4O5/c1-5-11-8(14-13-5)9(16)12-6(10(17)18)3-4-7(15)19-2/h6H,3-4H2,1-2H3,(H,12,16)(H,17,18)(H,11,13,14)
InChIKeyLVRMMFLKAAHWOE-UHFFFAOYSA-N
XLogP-0.75
TPSA134.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82786211
(2R)-4-hydroxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid
CID 107822795
(2S)-5-ethoxy-2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-oxopentanoic acid
CID 107039200
(2S)-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820399
(2S)-5-methoxy-5-oxo-2-(1H-pyrazole-5-carbonylamino)pentanoic acid
CID 107820339
(2R)-5-methoxy-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 107820744
2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82780288
(2R)-5-methoxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-oxopentanoic acid
CID 107820927
(2S)-2-benzamido-5-methoxy-5-oxopentanoic acid
CID 10923432
5-methoxy-2-[(4-methoxybenzoyl)amino]-5-oxopentanoic acid
CID 82780991
(2R)-5-methoxy-5-oxo-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pentanoic acid
CID 107820677
(2S)-5-methoxy-2-[(4-methylthiadiazole-5-carbonyl)amino]-5-oxopentanoic acid
CID 107820329

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-methoxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-oxopentanoic acid (CID 82786590) is 5-methoxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-methoxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-methoxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-oxopentanoic acid is COC(=O)CCC(NC(=O)c1n[nH]c(C)n1)C(=O)O.
What is the InChIKey of 5-methoxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is LVRMMFLKAAHWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O5/c1-5-11-8(14-13-5)9(16)12-6(10(17)18)3-4-7(15)19-2/h6H,3-4H2,1-2H3,(H,12,16)(H,17,18)(H,11,13,14).
What are the key properties of 5-methoxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-oxopentanoic acid?
5-methoxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 270.25 g/mol, XLogP of -0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 82786590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).