2-methyl-2-[4-[[1-(2-methylpropyl)cyclobutanecarbonyl]amino]pyrazol-1-yl]propanoic acid

C16H25N3O3 — CID 120697304

IUPAC2-methyl-2-[4-[[1-(2-methylpropyl)cyclobutanecarbonyl]amino]pyrazol-1-yl]propanoic acid
SMILESCC(C)CC1(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)CCC1
InChIInChI=1S/C16H25N3O3/c1-11(2)8-16(6-5-7-16)13(20)18-12-9-17-19(10-12)15(3,4)14(21)22/h9-11H,5-8H2,1-4H3,(H,18,20)(H,21,22)
InChIKeyPXJJNDRUUUEYCL-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.86
Rot. Bonds6

About 2-methyl-2-[4-[[1-(2-methylpropyl)cyclobutanecarbonyl]amino]pyrazol-1-yl]propanoic acid

2-methyl-2-[4-[[1-(2-methylpropyl)cyclobutanecarbonyl]amino]pyrazol-1-yl]propanoic acid (PubChem CID 120697304) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-methyl-2-[4-[[1-(2-methylpropyl)cyclobutanecarbonyl]amino]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[[1-(2-methylpropyl)cyclobutanecarbonyl]amino]pyrazol-1-yl]propanoic acid
PubChem CID120697304
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name2-methyl-2-[4-[[1-(2-methylpropyl)cyclobutanecarbonyl]amino]pyrazol-1-yl]propanoic acid
SMILESCC(C)CC1(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)CCC1
InChIInChI=1S/C16H25N3O3/c1-11(2)8-16(6-5-7-16)13(20)18-12-9-17-19(10-12)15(3,4)14(21)22/h9-11H,5-8H2,1-4H3,(H,18,20)(H,21,22)
InChIKeyPXJJNDRUUUEYCL-UHFFFAOYSA-N
XLogP2.86
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[4-[[1-(2-methylpropyl)cyclobutanecarbonyl]amino]pyrazol-1-yl]propanoic acid with MolForge

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Related Compounds

2-[4-[(1-ethylcyclopentanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697765
2-[4-[(1-benzylcyclobutanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697767
2-[4-[(1-benzylcyclopropanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696283
2-[4-[(4,4-difluorocyclohexanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696423
2-[4-[(2-cyclohexylacetyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696628
2-[4-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696592
2-[4-(2,3-dimethylpentanoylamino)pyrazol-1-yl]-2-methylpropanoic acid
CID 120697322
2-[4-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696186
2-methyl-2-[4-[(2-propan-2-ylsulfonylacetyl)amino]pyrazol-1-yl]propanoic acid
CID 120696216
2-methyl-2-[4-(spiro[2.2]pentane-2-carbonylamino)pyrazol-1-yl]propanoic acid
CID 122108714
2-[4-[(1-benzoyl-3-methylpiperidine-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697164
2-methyl-2-[4-(3-propan-2-yloxypropanoylamino)pyrazol-1-yl]propanoic acid
CID 120696798

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[[1-(2-methylpropyl)cyclobutanecarbonyl]amino]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[[1-(2-methylpropyl)cyclobutanecarbonyl]amino]pyrazol-1-yl]propanoic acid (CID 120697304) is 2-methyl-2-[4-[[1-(2-methylpropyl)cyclobutanecarbonyl]amino]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[[1-(2-methylpropyl)cyclobutanecarbonyl]amino]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[[1-(2-methylpropyl)cyclobutanecarbonyl]amino]pyrazol-1-yl]propanoic acid is CC(C)CC1(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)CCC1.
What is the InChIKey of 2-methyl-2-[4-[[1-(2-methylpropyl)cyclobutanecarbonyl]amino]pyrazol-1-yl]propanoic acid?
The InChIKey is PXJJNDRUUUEYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11(2)8-16(6-5-7-16)13(20)18-12-9-17-19(10-12)15(3,4)14(21)22/h9-11H,5-8H2,1-4H3,(H,18,20)(H,21,22).
What are the key properties of 2-methyl-2-[4-[[1-(2-methylpropyl)cyclobutanecarbonyl]amino]pyrazol-1-yl]propanoic acid?
2-methyl-2-[4-[[1-(2-methylpropyl)cyclobutanecarbonyl]amino]pyrazol-1-yl]propanoic acid has a molecular weight of 307.39 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[[1-(2-methylpropyl)cyclobutanecarbonyl]amino]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 120697304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).