2-(5-ethoxycarbonylindazol-1-yl)acetic acid

C12H12N2O4 — CID 18388152

IUPAC2-(5-ethoxycarbonylindazol-1-yl)acetic acid
SMILESCCOC(=O)c1ccc2c(cnn2CC(=O)O)c1
InChIInChI=1S/C12H12N2O4/c1-2-18-12(17)8-3-4-10-9(5-8)6-13-14(10)7-11(15)16/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyPTUIURKCTUHWAM-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.30
Rot. Bonds4

About 2-(5-ethoxycarbonylindazol-1-yl)acetic acid

2-(5-ethoxycarbonylindazol-1-yl)acetic acid (PubChem CID 18388152) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-(5-ethoxycarbonylindazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-ethoxycarbonylindazol-1-yl)acetic acid
PubChem CID18388152
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name2-(5-ethoxycarbonylindazol-1-yl)acetic acid
SMILESCCOC(=O)c1ccc2c(cnn2CC(=O)O)c1
InChIInChI=1S/C12H12N2O4/c1-2-18-12(17)8-3-4-10-9(5-8)6-13-14(10)7-11(15)16/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyPTUIURKCTUHWAM-UHFFFAOYSA-N
XLogP1.30
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(4-aminobutyl)indazole-5-carboxylate
CID 10659083
ethyl 1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazole-5-carboxylate
CID 19084979
ethyl 1-tritylindazole-5-carboxylate
CID 141079156
ethyl 1-[2-(5-oxo-3H-imidazo[1,2-a]pyrimidin-7-yl)ethyl]indazole-5-carboxylate
CID 70155485
ethyl 1-[3-[(4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carbonyl)amino]propyl]indazole-5-carboxylate
CID 90314567
ethyl 2-(1-methylindazol-5-yl)-2-oxoacetate
CID 86700316
ethyl 1-(2-azidopropyl)indazole-6-carboxylate
CID 86760620
methyl 2-(5-methylindazol-1-yl)acetate
CID 13337773
methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate
CID 58244225
ethyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indazole-5-carboxylate
CID 118378622
ethyl 1-formylindole-5-carboxylate
CID 139975474
ethyl 1-benzyl-6-oxopyridazine-4-carboxylate
CID 118938057

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxycarbonylindazol-1-yl)acetic acid?
The IUPAC name of 2-(5-ethoxycarbonylindazol-1-yl)acetic acid (CID 18388152) is 2-(5-ethoxycarbonylindazol-1-yl)acetic acid.
What is the SMILES notation for 2-(5-ethoxycarbonylindazol-1-yl)acetic acid?
The canonical SMILES for 2-(5-ethoxycarbonylindazol-1-yl)acetic acid is CCOC(=O)c1ccc2c(cnn2CC(=O)O)c1.
What is the InChIKey of 2-(5-ethoxycarbonylindazol-1-yl)acetic acid?
The InChIKey is PTUIURKCTUHWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-2-18-12(17)8-3-4-10-9(5-8)6-13-14(10)7-11(15)16/h3-6H,2,7H2,1H3,(H,15,16).
What are the key properties of 2-(5-ethoxycarbonylindazol-1-yl)acetic acid?
2-(5-ethoxycarbonylindazol-1-yl)acetic acid has a molecular weight of 248.24 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxycarbonylindazol-1-yl)acetic acid is sourced from PubChem (CID 18388152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).