2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-methoxy-5-oxopentanoic acid

C13H19N3O5 — CID 82780288

IUPAC2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)Cc1c(C)n[nH]c1C)C(=O)O
InChIInChI=1S/C13H19N3O5/c1-7-9(8(2)16-15-7)6-11(17)14-10(13(19)20)4-5-12(18)21-3/h10H,4-6H2,1-3H3,(H,14,17)(H,15,16)(H,19,20)
InChIKeyBPQXJJZTGNCZSP-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.09
Rot. Bonds7

About 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-methoxy-5-oxopentanoic acid

2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-methoxy-5-oxopentanoic acid (PubChem CID 82780288) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
PubChem CID82780288
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)Cc1c(C)n[nH]c1C)C(=O)O
InChIInChI=1S/C13H19N3O5/c1-7-9(8(2)16-15-7)6-11(17)14-10(13(19)20)4-5-12(18)21-3/h10H,4-6H2,1-3H3,(H,14,17)(H,15,16)(H,19,20)
InChIKeyBPQXJJZTGNCZSP-UHFFFAOYSA-N
XLogP0.09
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-methoxy-5-oxopentanoic acid with MolForge

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Related Compounds

(2S)-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820399
methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]acetate
CID 43431213
5-methoxy-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-5-oxopentanoic acid
CID 107147311
(2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107820376
5-methoxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-oxopentanoic acid
CID 82786590
(2R)-2-[[2-(2-hydroxyphenyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107820559
5-methoxy-5-oxo-2-[(2-phenoxyacetyl)amino]pentanoic acid
CID 82780603
(2R)-2-(5-aminopentanoylamino)-5-methoxy-5-oxopentanoic acid
CID 113342345
(2S)-2-[[2-(3-hydroxyphenyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107820137
(2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 114005133
2-(6-aminohexanoylamino)-5-methoxy-5-oxopentanoic acid
CID 82787226
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]acetamide
CID 99825759

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-methoxy-5-oxopentanoic acid (CID 82780288) is 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-methoxy-5-oxopentanoic acid is COC(=O)CCC(NC(=O)Cc1c(C)n[nH]c1C)C(=O)O.
What is the InChIKey of 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is BPQXJJZTGNCZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-7-9(8(2)16-15-7)6-11(17)14-10(13(19)20)4-5-12(18)21-3/h10H,4-6H2,1-3H3,(H,14,17)(H,15,16)(H,19,20).
What are the key properties of 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-methoxy-5-oxopentanoic acid?
2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 297.31 g/mol, XLogP of 0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 82780288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).