4-amino-4-methyl-3-(2-methylpyrazol-3-yl)pentanoic acid

C10H17N3O2 — CID 114554584

IUPAC4-amino-4-methyl-3-(2-methylpyrazol-3-yl)pentanoic acid
SMILESCn1nccc1C(CC(=O)O)C(C)(C)N
InChIInChI=1S/C10H17N3O2/c1-10(2,11)7(6-9(14)15)8-4-5-12-13(8)3/h4-5,7H,6,11H2,1-3H3,(H,14,15)
InChIKeyISHAHHCCPKFTED-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.72
Rot. Bonds4

About 4-amino-4-methyl-3-(2-methylpyrazol-3-yl)pentanoic acid

4-amino-4-methyl-3-(2-methylpyrazol-3-yl)pentanoic acid (PubChem CID 114554584) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-amino-4-methyl-3-(2-methylpyrazol-3-yl)pentanoic acid.

Molecular Properties

Compound Name4-amino-4-methyl-3-(2-methylpyrazol-3-yl)pentanoic acid
PubChem CID114554584
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-amino-4-methyl-3-(2-methylpyrazol-3-yl)pentanoic acid
SMILESCn1nccc1C(CC(=O)O)C(C)(C)N
InChIInChI=1S/C10H17N3O2/c1-10(2,11)7(6-9(14)15)8-4-5-12-13(8)3/h4-5,7H,6,11H2,1-3H3,(H,14,15)
InChIKeyISHAHHCCPKFTED-UHFFFAOYSA-N
XLogP0.72
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-methyl-3-(2-methylpyrazol-3-yl)pentanoic acid?
The IUPAC name of 4-amino-4-methyl-3-(2-methylpyrazol-3-yl)pentanoic acid (CID 114554584) is 4-amino-4-methyl-3-(2-methylpyrazol-3-yl)pentanoic acid.
What is the SMILES notation for 4-amino-4-methyl-3-(2-methylpyrazol-3-yl)pentanoic acid?
The canonical SMILES for 4-amino-4-methyl-3-(2-methylpyrazol-3-yl)pentanoic acid is Cn1nccc1C(CC(=O)O)C(C)(C)N.
What is the InChIKey of 4-amino-4-methyl-3-(2-methylpyrazol-3-yl)pentanoic acid?
The InChIKey is ISHAHHCCPKFTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2,11)7(6-9(14)15)8-4-5-12-13(8)3/h4-5,7H,6,11H2,1-3H3,(H,14,15).
What are the key properties of 4-amino-4-methyl-3-(2-methylpyrazol-3-yl)pentanoic acid?
4-amino-4-methyl-3-(2-methylpyrazol-3-yl)pentanoic acid has a molecular weight of 211.26 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-methyl-3-(2-methylpyrazol-3-yl)pentanoic acid is sourced from PubChem (CID 114554584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).