2-[1-(1H-indazol-3-yl)pyrrolidin-3-yl]acetic acid

C13H15N3O2 — CID 82622618

IUPAC2-[1-(1H-indazol-3-yl)pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCN(c2n[nH]c3ccccc23)C1
InChIInChI=1S/C13H15N3O2/c17-12(18)7-9-5-6-16(8-9)13-10-3-1-2-4-11(10)14-15-13/h1-4,9H,5-8H2,(H,14,15)(H,17,18)
InChIKeyYHELPUQJYALRKK-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.86
Rot. Bonds3

About 2-[1-(1H-indazol-3-yl)pyrrolidin-3-yl]acetic acid

2-[1-(1H-indazol-3-yl)pyrrolidin-3-yl]acetic acid (PubChem CID 82622618) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[1-(1H-indazol-3-yl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1H-indazol-3-yl)pyrrolidin-3-yl]acetic acid
PubChem CID82622618
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-[1-(1H-indazol-3-yl)pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCN(c2n[nH]c3ccccc23)C1
InChIInChI=1S/C13H15N3O2/c17-12(18)7-9-5-6-16(8-9)13-10-3-1-2-4-11(10)14-15-13/h1-4,9H,5-8H2,(H,14,15)(H,17,18)
InChIKeyYHELPUQJYALRKK-UHFFFAOYSA-N
XLogP1.86
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-indazol-3-yl)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1H-indazol-3-yl)pyrrolidin-3-yl]acetic acid (CID 82622618) is 2-[1-(1H-indazol-3-yl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1H-indazol-3-yl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1H-indazol-3-yl)pyrrolidin-3-yl]acetic acid is O=C(O)CC1CCN(c2n[nH]c3ccccc23)C1.
What is the InChIKey of 2-[1-(1H-indazol-3-yl)pyrrolidin-3-yl]acetic acid?
The InChIKey is YHELPUQJYALRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-12(18)7-9-5-6-16(8-9)13-10-3-1-2-4-11(10)14-15-13/h1-4,9H,5-8H2,(H,14,15)(H,17,18).
What are the key properties of 2-[1-(1H-indazol-3-yl)pyrrolidin-3-yl]acetic acid?
2-[1-(1H-indazol-3-yl)pyrrolidin-3-yl]acetic acid has a molecular weight of 245.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-indazol-3-yl)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 82622618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).