2-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid

C11H18N4O3 — CID 55205366

IUPAC2-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)NCc1ccnn1C
InChIInChI=1S/C11H18N4O3/c1-4-9(10(16)17)14(2)11(18)12-7-8-5-6-13-15(8)3/h5-6,9H,4,7H2,1-3H3,(H,12,18)(H,16,17)
InChIKeySTOXUYVKDYYTMK-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.42
Rot. Bonds5

About 2-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid

2-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid (PubChem CID 55205366) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid
PubChem CID55205366
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)NCc1ccnn1C
InChIInChI=1S/C11H18N4O3/c1-4-9(10(16)17)14(2)11(18)12-7-8-5-6-13-15(8)3/h5-6,9H,4,7H2,1-3H3,(H,12,18)(H,16,17)
InChIKeySTOXUYVKDYYTMK-UHFFFAOYSA-N
XLogP0.42
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid?
The IUPAC name of 2-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid (CID 55205366) is 2-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid.
What is the SMILES notation for 2-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid?
The canonical SMILES for 2-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid is CCC(C(=O)O)N(C)C(=O)NCc1ccnn1C.
What is the InChIKey of 2-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid?
The InChIKey is STOXUYVKDYYTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-4-9(10(16)17)14(2)11(18)12-7-8-5-6-13-15(8)3/h5-6,9H,4,7H2,1-3H3,(H,12,18)(H,16,17).
What are the key properties of 2-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid?
2-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid has a molecular weight of 254.29 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid is sourced from PubChem (CID 55205366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).