5,5-dimethyl-2-[(2-methylpyrazol-3-yl)methylamino]hexanoic acid

C13H23N3O2 — CID 175558841

IUPAC5,5-dimethyl-2-[(2-methylpyrazol-3-yl)methylamino]hexanoic acid
SMILESCn1nccc1CNC(CCC(C)(C)C)C(=O)O
InChIInChI=1S/C13H23N3O2/c1-13(2,3)7-5-11(12(17)18)14-9-10-6-8-15-16(10)4/h6,8,11,14H,5,7,9H2,1-4H3,(H,17,18)
InChIKeyNOFNELPCDFIODG-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.79
Rot. Bonds6

About 5,5-dimethyl-2-[(2-methylpyrazol-3-yl)methylamino]hexanoic acid

5,5-dimethyl-2-[(2-methylpyrazol-3-yl)methylamino]hexanoic acid (PubChem CID 175558841) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5,5-dimethyl-2-[(2-methylpyrazol-3-yl)methylamino]hexanoic acid.

Molecular Properties

Compound Name5,5-dimethyl-2-[(2-methylpyrazol-3-yl)methylamino]hexanoic acid
PubChem CID175558841
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name5,5-dimethyl-2-[(2-methylpyrazol-3-yl)methylamino]hexanoic acid
SMILESCn1nccc1CNC(CCC(C)(C)C)C(=O)O
InChIInChI=1S/C13H23N3O2/c1-13(2,3)7-5-11(12(17)18)14-9-10-6-8-15-16(10)4/h6,8,11,14H,5,7,9H2,1-4H3,(H,17,18)
InChIKeyNOFNELPCDFIODG-UHFFFAOYSA-N
XLogP1.79
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5,5-dimethyl-2-[(2-methylpyrazol-3-yl)methylamino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[(2-methylpyrazol-3-yl)methylamino]hexanoic acid?
The IUPAC name of 5,5-dimethyl-2-[(2-methylpyrazol-3-yl)methylamino]hexanoic acid (CID 175558841) is 5,5-dimethyl-2-[(2-methylpyrazol-3-yl)methylamino]hexanoic acid.
What is the SMILES notation for 5,5-dimethyl-2-[(2-methylpyrazol-3-yl)methylamino]hexanoic acid?
The canonical SMILES for 5,5-dimethyl-2-[(2-methylpyrazol-3-yl)methylamino]hexanoic acid is Cn1nccc1CNC(CCC(C)(C)C)C(=O)O.
What is the InChIKey of 5,5-dimethyl-2-[(2-methylpyrazol-3-yl)methylamino]hexanoic acid?
The InChIKey is NOFNELPCDFIODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-13(2,3)7-5-11(12(17)18)14-9-10-6-8-15-16(10)4/h6,8,11,14H,5,7,9H2,1-4H3,(H,17,18).
What are the key properties of 5,5-dimethyl-2-[(2-methylpyrazol-3-yl)methylamino]hexanoic acid?
5,5-dimethyl-2-[(2-methylpyrazol-3-yl)methylamino]hexanoic acid has a molecular weight of 253.35 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-[(2-methylpyrazol-3-yl)methylamino]hexanoic acid is sourced from PubChem (CID 175558841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).