2,2-dimethyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]-4-oxobutanoic acid

C11H16N4O4 — CID 65299935

IUPAC2,2-dimethyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]-4-oxobutanoic acid
SMILESCn1ccc(NC(=O)NC(=O)CC(C)(C)C(=O)O)n1
InChIInChI=1S/C11H16N4O4/c1-11(2,9(17)18)6-8(16)13-10(19)12-7-4-5-15(3)14-7/h4-5H,6H2,1-3H3,(H,17,18)(H2,12,13,14,16,19)
InChIKeyFZENUFORFNWGCN-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.57
Rot. Bonds4

About 2,2-dimethyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]-4-oxobutanoic acid

2,2-dimethyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]-4-oxobutanoic acid (PubChem CID 65299935) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2,2-dimethyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]-4-oxobutanoic acid
PubChem CID65299935
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name2,2-dimethyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]-4-oxobutanoic acid
SMILESCn1ccc(NC(=O)NC(=O)CC(C)(C)C(=O)O)n1
InChIInChI=1S/C11H16N4O4/c1-11(2,9(17)18)6-8(16)13-10(19)12-7-4-5-15(3)14-7/h4-5H,6H2,1-3H3,(H,17,18)(H2,12,13,14,16,19)
InChIKeyFZENUFORFNWGCN-UHFFFAOYSA-N
XLogP0.57
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(1-methylpyrazol-3-yl)carbamoylamino]-6-oxohexanoic acid
CID 60809333
2-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid
CID 79801340
1-[1-(hydroxymethyl)cyclopentyl]-3-(1-methylpyrazol-3-yl)urea
CID 111926215
(2S)-4-amino-2-[(1-methylpyrazol-3-yl)carbamoylamino]-4-oxobutanoic acid
CID 63717738
2,2-dimethyl-4-[(1-methylpyrazol-4-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 65301891
3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide
CID 177229835
4-[(4-cyanophenyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65299927
(2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-2-phenylacetic acid
CID 61206380
4-methyl-2-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63628855
1-cyclopropyl-3-(1-methylpyrazol-3-yl)urea
CID 115576603
1-(2-hydroxy-2-propylpentyl)-3-(1-methylpyrazol-3-yl)urea
CID 111437689
2-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid
CID 80540855

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]-4-oxobutanoic acid?
The IUPAC name of 2,2-dimethyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]-4-oxobutanoic acid (CID 65299935) is 2,2-dimethyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for 2,2-dimethyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]-4-oxobutanoic acid is Cn1ccc(NC(=O)NC(=O)CC(C)(C)C(=O)O)n1.
What is the InChIKey of 2,2-dimethyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]-4-oxobutanoic acid?
The InChIKey is FZENUFORFNWGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-11(2,9(17)18)6-8(16)13-10(19)12-7-4-5-15(3)14-7/h4-5H,6H2,1-3H3,(H,17,18)(H2,12,13,14,16,19).
What are the key properties of 2,2-dimethyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]-4-oxobutanoic acid?
2,2-dimethyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]-4-oxobutanoic acid has a molecular weight of 268.27 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 65299935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).