2-amino-2-ethyl-5-(5-methylpyrazol-1-yl)pentanoic acid

C11H19N3O2 — CID 106806680

IUPAC2-amino-2-ethyl-5-(5-methylpyrazol-1-yl)pentanoic acid
SMILESCCC(N)(CCCn1nccc1C)C(=O)O
InChIInChI=1S/C11H19N3O2/c1-3-11(12,10(15)16)6-4-8-14-9(2)5-7-13-14/h5,7H,3-4,6,8,12H2,1-2H3,(H,15,16)
InChIKeyPFTMYXIJEUIIJK-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.16
Rot. Bonds6

About 2-amino-2-ethyl-5-(5-methylpyrazol-1-yl)pentanoic acid

2-amino-2-ethyl-5-(5-methylpyrazol-1-yl)pentanoic acid (PubChem CID 106806680) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-(5-methylpyrazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-amino-2-ethyl-5-(5-methylpyrazol-1-yl)pentanoic acid
PubChem CID106806680
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-amino-2-ethyl-5-(5-methylpyrazol-1-yl)pentanoic acid
SMILESCCC(N)(CCCn1nccc1C)C(=O)O
InChIInChI=1S/C11H19N3O2/c1-3-11(12,10(15)16)6-4-8-14-9(2)5-7-13-14/h5,7H,3-4,6,8,12H2,1-2H3,(H,15,16)
InChIKeyPFTMYXIJEUIIJK-UHFFFAOYSA-N
XLogP1.16
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-(5-methylpyrazol-1-yl)pentanoic acid?
The IUPAC name of 2-amino-2-ethyl-5-(5-methylpyrazol-1-yl)pentanoic acid (CID 106806680) is 2-amino-2-ethyl-5-(5-methylpyrazol-1-yl)pentanoic acid.
What is the SMILES notation for 2-amino-2-ethyl-5-(5-methylpyrazol-1-yl)pentanoic acid?
The canonical SMILES for 2-amino-2-ethyl-5-(5-methylpyrazol-1-yl)pentanoic acid is CCC(N)(CCCn1nccc1C)C(=O)O.
What is the InChIKey of 2-amino-2-ethyl-5-(5-methylpyrazol-1-yl)pentanoic acid?
The InChIKey is PFTMYXIJEUIIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-11(12,10(15)16)6-4-8-14-9(2)5-7-13-14/h5,7H,3-4,6,8,12H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-2-ethyl-5-(5-methylpyrazol-1-yl)pentanoic acid?
2-amino-2-ethyl-5-(5-methylpyrazol-1-yl)pentanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-(5-methylpyrazol-1-yl)pentanoic acid is sourced from PubChem (CID 106806680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).