2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazol-2-yl]acetic acid

C15H18N2O4 — CID 153087783

IUPAC2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazol-2-yl]acetic acid
SMILESCC(C)(C)OC(=O)Cc1ccc2nn(CC(=O)O)cc2c1
InChIInChI=1S/C15H18N2O4/c1-15(2,3)21-14(20)7-10-4-5-12-11(6-10)8-17(16-12)9-13(18)19/h4-6,8H,7,9H2,1-3H3,(H,18,19)
InChIKeyVONXAGCEBFIUMX-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.01
Rot. Bonds4

About 2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazol-2-yl]acetic acid

2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazol-2-yl]acetic acid (PubChem CID 153087783) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazol-2-yl]acetic acid
PubChem CID153087783
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazol-2-yl]acetic acid
SMILESCC(C)(C)OC(=O)Cc1ccc2nn(CC(=O)O)cc2c1
InChIInChI=1S/C15H18N2O4/c1-15(2,3)21-14(20)7-10-4-5-12-11(6-10)8-17(16-12)9-13(18)19/h4-6,8H,7,9H2,1-3H3,(H,18,19)
InChIKeyVONXAGCEBFIUMX-UHFFFAOYSA-N
XLogP2.01
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazol-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]acetate
CID 157176087
tert-butyl 2-[2-[2-(4-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]indazol-5-yl]acetate
CID 157401907
2-(5-aminoindazol-2-yl)acetic acid
CID 122637062
tert-butyl 2-[2-[1-(4-benzoylpiperazin-1-yl)-1-oxopropan-2-yl]indazol-5-yl]acetate
CID 159929442
2-[6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetic acid
CID 118172850
tert-butyl 2-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-6-methylindazol-5-yl]acetate
CID 157297178
tert-butyl 2-(3-bromo-4-formylphenyl)acetate
CID 159968952
ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetate
CID 118182502
ethyl 2-(2-methylindazol-5-yl)acetate
CID 155343728
tert-butyl N-[(2-methylindazol-5-yl)methyl]carbamate
CID 155896192
tert-butyl 2-[4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]acetate;2-[4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]acetic acid
CID 159438689
tert-butyl 2-(3-ethylphenyl)acetate
CID 71064752

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazol-2-yl]acetic acid?
The IUPAC name of 2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazol-2-yl]acetic acid (CID 153087783) is 2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazol-2-yl]acetic acid is CC(C)(C)OC(=O)Cc1ccc2nn(CC(=O)O)cc2c1.
What is the InChIKey of 2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazol-2-yl]acetic acid?
The InChIKey is VONXAGCEBFIUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-15(2,3)21-14(20)7-10-4-5-12-11(6-10)8-17(16-12)9-13(18)19/h4-6,8H,7,9H2,1-3H3,(H,18,19).
What are the key properties of 2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazol-2-yl]acetic acid?
2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazol-2-yl]acetic acid has a molecular weight of 290.32 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazol-2-yl]acetic acid is sourced from PubChem (CID 153087783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).