2-[4-(2-azaspiro[3.6]decan-2-yl)pyrazol-1-yl]acetic acid

C14H21N3O2 — CID 79694737

IUPAC2-[4-(2-azaspiro[3.6]decan-2-yl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(N2CC3(CCCCCC3)C2)cn1
InChIInChI=1S/C14H21N3O2/c18-13(19)9-17-8-12(7-15-17)16-10-14(11-16)5-3-1-2-4-6-14/h7-8H,1-6,9-11H2,(H,18,19)
InChIKeyKBFFRMWXCYIABF-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.13
Rot. Bonds3

About 2-[4-(2-azaspiro[3.6]decan-2-yl)pyrazol-1-yl]acetic acid

2-[4-(2-azaspiro[3.6]decan-2-yl)pyrazol-1-yl]acetic acid (PubChem CID 79694737) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[4-(2-azaspiro[3.6]decan-2-yl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-azaspiro[3.6]decan-2-yl)pyrazol-1-yl]acetic acid
PubChem CID79694737
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[4-(2-azaspiro[3.6]decan-2-yl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(N2CC3(CCCCCC3)C2)cn1
InChIInChI=1S/C14H21N3O2/c18-13(19)9-17-8-12(7-15-17)16-10-14(11-16)5-3-1-2-4-6-14/h7-8H,1-6,9-11H2,(H,18,19)
InChIKeyKBFFRMWXCYIABF-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-azaspiro[3.6]decan-2-yl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-azaspiro[3.6]decan-2-yl)pyrazol-1-yl]acetic acid (CID 79694737) is 2-[4-(2-azaspiro[3.6]decan-2-yl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-azaspiro[3.6]decan-2-yl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-azaspiro[3.6]decan-2-yl)pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(N2CC3(CCCCCC3)C2)cn1.
What is the InChIKey of 2-[4-(2-azaspiro[3.6]decan-2-yl)pyrazol-1-yl]acetic acid?
The InChIKey is KBFFRMWXCYIABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-13(19)9-17-8-12(7-15-17)16-10-14(11-16)5-3-1-2-4-6-14/h7-8H,1-6,9-11H2,(H,18,19).
What are the key properties of 2-[4-(2-azaspiro[3.6]decan-2-yl)pyrazol-1-yl]acetic acid?
2-[4-(2-azaspiro[3.6]decan-2-yl)pyrazol-1-yl]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-azaspiro[3.6]decan-2-yl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 79694737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).