4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentanoic acid

C11H19N3O2 — CID 83094352

IUPAC4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentanoic acid
SMILESCc1nn(C)cc1C(CC(=O)O)C(C)(C)N
InChIInChI=1S/C11H19N3O2/c1-7-8(6-14(4)13-7)9(5-10(15)16)11(2,3)12/h6,9H,5,12H2,1-4H3,(H,15,16)
InChIKeyDVUJURJBNWIOKJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.02
Rot. Bonds4

About 4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentanoic acid

4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentanoic acid (PubChem CID 83094352) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentanoic acid.

Molecular Properties

Compound Name4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentanoic acid
PubChem CID83094352
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentanoic acid
SMILESCc1nn(C)cc1C(CC(=O)O)C(C)(C)N
InChIInChI=1S/C11H19N3O2/c1-7-8(6-14(4)13-7)9(5-10(15)16)11(2,3)12/h6,9H,5,12H2,1-4H3,(H,15,16)
InChIKeyDVUJURJBNWIOKJ-UHFFFAOYSA-N
XLogP1.02
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentanoic acid?
The IUPAC name of 4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentanoic acid (CID 83094352) is 4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentanoic acid.
What is the SMILES notation for 4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentanoic acid?
The canonical SMILES for 4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentanoic acid is Cc1nn(C)cc1C(CC(=O)O)C(C)(C)N.
What is the InChIKey of 4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentanoic acid?
The InChIKey is DVUJURJBNWIOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7-8(6-14(4)13-7)9(5-10(15)16)11(2,3)12/h6,9H,5,12H2,1-4H3,(H,15,16).
What are the key properties of 4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentanoic acid?
4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentanoic acid is sourced from PubChem (CID 83094352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).