3-(2-aminoethoxy)-6-carbamoyl-2-(2-methylpyrazol-3-yl)benzoic acid

C14H16N4O4 — CID 91274812

IUPAC3-(2-aminoethoxy)-6-carbamoyl-2-(2-methylpyrazol-3-yl)benzoic acid
SMILESCn1nccc1-c1c(OCCN)ccc(C(N)=O)c1C(=O)O
InChIInChI=1S/C14H16N4O4/c1-18-9(4-6-17-18)12-10(22-7-5-15)3-2-8(13(16)19)11(12)14(20)21/h2-4,6H,5,7,15H2,1H3,(H2,16,19)(H,20,21)
InChIKeyLUGZBMUPARMSSH-UHFFFAOYSA-N
MW304.31 g/mol
LogP0.22
Rot. Bonds6

About 3-(2-aminoethoxy)-6-carbamoyl-2-(2-methylpyrazol-3-yl)benzoic acid

3-(2-aminoethoxy)-6-carbamoyl-2-(2-methylpyrazol-3-yl)benzoic acid (PubChem CID 91274812) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-6-carbamoyl-2-(2-methylpyrazol-3-yl)benzoic acid.

Molecular Properties

Compound Name3-(2-aminoethoxy)-6-carbamoyl-2-(2-methylpyrazol-3-yl)benzoic acid
PubChem CID91274812
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name3-(2-aminoethoxy)-6-carbamoyl-2-(2-methylpyrazol-3-yl)benzoic acid
SMILESCn1nccc1-c1c(OCCN)ccc(C(N)=O)c1C(=O)O
InChIInChI=1S/C14H16N4O4/c1-18-9(4-6-17-18)12-10(22-7-5-15)3-2-8(13(16)19)11(12)14(20)21/h2-4,6H,5,7,15H2,1H3,(H2,16,19)(H,20,21)
InChIKeyLUGZBMUPARMSSH-UHFFFAOYSA-N
XLogP0.22
TPSA133.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-6-carbamoyl-2-(2-methylpyrazol-3-yl)benzoic acid?
The IUPAC name of 3-(2-aminoethoxy)-6-carbamoyl-2-(2-methylpyrazol-3-yl)benzoic acid (CID 91274812) is 3-(2-aminoethoxy)-6-carbamoyl-2-(2-methylpyrazol-3-yl)benzoic acid.
What is the SMILES notation for 3-(2-aminoethoxy)-6-carbamoyl-2-(2-methylpyrazol-3-yl)benzoic acid?
The canonical SMILES for 3-(2-aminoethoxy)-6-carbamoyl-2-(2-methylpyrazol-3-yl)benzoic acid is Cn1nccc1-c1c(OCCN)ccc(C(N)=O)c1C(=O)O.
What is the InChIKey of 3-(2-aminoethoxy)-6-carbamoyl-2-(2-methylpyrazol-3-yl)benzoic acid?
The InChIKey is LUGZBMUPARMSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-18-9(4-6-17-18)12-10(22-7-5-15)3-2-8(13(16)19)11(12)14(20)21/h2-4,6H,5,7,15H2,1H3,(H2,16,19)(H,20,21).
What are the key properties of 3-(2-aminoethoxy)-6-carbamoyl-2-(2-methylpyrazol-3-yl)benzoic acid?
3-(2-aminoethoxy)-6-carbamoyl-2-(2-methylpyrazol-3-yl)benzoic acid has a molecular weight of 304.31 g/mol, XLogP of 0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-6-carbamoyl-2-(2-methylpyrazol-3-yl)benzoic acid is sourced from PubChem (CID 91274812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).