2-[1-(1H-indazole-6-carbonyl)azetidin-3-yl]acetic acid

C13H13N3O3 — CID 64604399

IUPAC2-[1-(1H-indazole-6-carbonyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2ccc3cn[nH]c3c2)C1
InChIInChI=1S/C13H13N3O3/c17-12(18)3-8-6-16(7-8)13(19)9-1-2-10-5-14-15-11(10)4-9/h1-2,4-5,8H,3,6-7H2,(H,14,15)(H,17,18)
InChIKeyHHYQHMBILJHOPO-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.11
Rot. Bonds3

About 2-[1-(1H-indazole-6-carbonyl)azetidin-3-yl]acetic acid

2-[1-(1H-indazole-6-carbonyl)azetidin-3-yl]acetic acid (PubChem CID 64604399) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-[1-(1H-indazole-6-carbonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1H-indazole-6-carbonyl)azetidin-3-yl]acetic acid
PubChem CID64604399
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name2-[1-(1H-indazole-6-carbonyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2ccc3cn[nH]c3c2)C1
InChIInChI=1S/C13H13N3O3/c17-12(18)3-8-6-16(7-8)13(19)9-1-2-10-5-14-15-11(10)4-9/h1-2,4-5,8H,3,6-7H2,(H,14,15)(H,17,18)
InChIKeyHHYQHMBILJHOPO-UHFFFAOYSA-N
XLogP1.11
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone
CID 79038789
1H-indazol-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114539393
(4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone
CID 46341627
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 62906319
3,6-dihydro-2H-pyridin-1-yl(1H-indazol-6-yl)methanone
CID 115970007
1-(1H-indazole-6-carbonyl)piperidine-4-carboxamide
CID 60715180
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 82015840
[4-(1-hydroxyethyl)piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 106837074
2-[1-(4-methylbenzoyl)azetidin-3-yl]acetic acid
CID 64603311
2-[1-(4-hydroxybenzoyl)azetidin-3-yl]acetic acid
CID 64603735
2-[1-(3-iodobenzoyl)azetidin-3-yl]acetic acid
CID 64605804
2-[1-(3-chlorobenzoyl)azetidin-3-yl]acetic acid
CID 64603115

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-indazole-6-carbonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1H-indazole-6-carbonyl)azetidin-3-yl]acetic acid (CID 64604399) is 2-[1-(1H-indazole-6-carbonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1H-indazole-6-carbonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1H-indazole-6-carbonyl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(C(=O)c2ccc3cn[nH]c3c2)C1.
What is the InChIKey of 2-[1-(1H-indazole-6-carbonyl)azetidin-3-yl]acetic acid?
The InChIKey is HHYQHMBILJHOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c17-12(18)3-8-6-16(7-8)13(19)9-1-2-10-5-14-15-11(10)4-9/h1-2,4-5,8H,3,6-7H2,(H,14,15)(H,17,18).
What are the key properties of 2-[1-(1H-indazole-6-carbonyl)azetidin-3-yl]acetic acid?
2-[1-(1H-indazole-6-carbonyl)azetidin-3-yl]acetic acid has a molecular weight of 259.26 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-indazole-6-carbonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64604399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).