2-methyl-2-[methyl-(1-propylpyrazole-4-carbonyl)amino]propanoic acid

C12H19N3O3 — CID 120518820

IUPAC2-methyl-2-[methyl-(1-propylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCCCn1cc(C(=O)N(C)C(C)(C)C(=O)O)cn1
InChIInChI=1S/C12H19N3O3/c1-5-6-15-8-9(7-13-15)10(16)14(4)12(2,3)11(17)18/h7-8H,5-6H2,1-4H3,(H,17,18)
InChIKeyPSANAZUERTUVIV-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.23
Rot. Bonds5

About 2-methyl-2-[methyl-(1-propylpyrazole-4-carbonyl)amino]propanoic acid

2-methyl-2-[methyl-(1-propylpyrazole-4-carbonyl)amino]propanoic acid (PubChem CID 120518820) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-methyl-2-[methyl-(1-propylpyrazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-(1-propylpyrazole-4-carbonyl)amino]propanoic acid
PubChem CID120518820
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-methyl-2-[methyl-(1-propylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCCCn1cc(C(=O)N(C)C(C)(C)C(=O)O)cn1
InChIInChI=1S/C12H19N3O3/c1-5-6-15-8-9(7-13-15)10(16)14(4)12(2,3)11(17)18/h7-8H,5-6H2,1-4H3,(H,17,18)
InChIKeyPSANAZUERTUVIV-UHFFFAOYSA-N
XLogP1.23
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-(1-propylpyrazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-(1-propylpyrazole-4-carbonyl)amino]propanoic acid (CID 120518820) is 2-methyl-2-[methyl-(1-propylpyrazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-(1-propylpyrazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-(1-propylpyrazole-4-carbonyl)amino]propanoic acid is CCCn1cc(C(=O)N(C)C(C)(C)C(=O)O)cn1.
What is the InChIKey of 2-methyl-2-[methyl-(1-propylpyrazole-4-carbonyl)amino]propanoic acid?
The InChIKey is PSANAZUERTUVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-5-6-15-8-9(7-13-15)10(16)14(4)12(2,3)11(17)18/h7-8H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 2-methyl-2-[methyl-(1-propylpyrazole-4-carbonyl)amino]propanoic acid?
2-methyl-2-[methyl-(1-propylpyrazole-4-carbonyl)amino]propanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-(1-propylpyrazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120518820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).