2-methyl-3-[methyl-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]amino]propanoic acid

C19H26N4O3 — CID 122091322

IUPAC2-methyl-3-[methyl-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]amino]propanoic acid
SMILESCc1ccc(-n2ncc(NC(=O)N(C)CC(C)C(=O)O)c2C(C)C)cc1
InChIInChI=1S/C19H26N4O3/c1-12(2)17-16(21-19(26)22(5)11-14(4)18(24)25)10-20-23(17)15-8-6-13(3)7-9-15/h6-10,12,14H,11H2,1-5H3,(H,21,26)(H,24,25)
InChIKeySNFNMZPBJQIETK-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.49
Rot. Bonds6

About 2-methyl-3-[methyl-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]amino]propanoic acid

2-methyl-3-[methyl-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]amino]propanoic acid (PubChem CID 122091322) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]amino]propanoic acid
PubChem CID122091322
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-methyl-3-[methyl-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]amino]propanoic acid
SMILESCc1ccc(-n2ncc(NC(=O)N(C)CC(C)C(=O)O)c2C(C)C)cc1
InChIInChI=1S/C19H26N4O3/c1-12(2)17-16(21-19(26)22(5)11-14(4)18(24)25)10-20-23(17)15-8-6-13(3)7-9-15/h6-10,12,14H,11H2,1-5H3,(H,21,26)(H,24,25)
InChIKeySNFNMZPBJQIETK-UHFFFAOYSA-N
XLogP3.49
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[methyl-[(5-methyl-2-pyridinyl)carbamoyl]amino]propanoic acid
CID 122089410
3-[[5-ethyl-1-(3-methylbutyl)pyrazol-4-yl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122091543
3-[[1-(3-cyanophenyl)-5-propylpyrazol-4-yl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122090974
3-[(2-methoxy-5-methyl-3-pyridinyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122086035
3-[(5-bromo-2-methylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 55007474
3-[[2,4-di(propan-2-yl)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122075662
2-(3-acetamidophenyl)-N-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]acetamide
CID 167878489
2-methyl-3-[methyl-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]amino]propanoic acid
CID 122088128
methyl 6-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]amino]pyridazine-3-carboxylate
CID 166382688
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119652642
3-[[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122091236
2-methyl-3-[methyl-[[4-(triazol-1-yl)phenyl]carbamoyl]amino]propanoic acid
CID 122078901

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]amino]propanoic acid (CID 122091322) is 2-methyl-3-[methyl-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]amino]propanoic acid is Cc1ccc(-n2ncc(NC(=O)N(C)CC(C)C(=O)O)c2C(C)C)cc1.
What is the InChIKey of 2-methyl-3-[methyl-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]amino]propanoic acid?
The InChIKey is SNFNMZPBJQIETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-12(2)17-16(21-19(26)22(5)11-14(4)18(24)25)10-20-23(17)15-8-6-13(3)7-9-15/h6-10,12,14H,11H2,1-5H3,(H,21,26)(H,24,25).
What are the key properties of 2-methyl-3-[methyl-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]amino]propanoic acid?
2-methyl-3-[methyl-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]amino]propanoic acid has a molecular weight of 358.44 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]amino]propanoic acid is sourced from PubChem (CID 122091322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).