3-[4-(2-aminoethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid

C14H23N3O2 — CID 82592828

IUPAC3-[4-(2-aminoethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid
SMILESCCc1nn(CCC(=O)O)c2c1C(CCN)CCC2
InChIInChI=1S/C14H23N3O2/c1-2-11-14-10(6-8-15)4-3-5-12(14)17(16-11)9-7-13(18)19/h10H,2-9,15H2,1H3,(H,18,19)
InChIKeyGVHVLUXKUZYCIG-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.69
Rot. Bonds6

About 3-[4-(2-aminoethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid

3-[4-(2-aminoethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid (PubChem CID 82592828) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[4-(2-aminoethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2-aminoethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid
PubChem CID82592828
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[4-(2-aminoethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid
SMILESCCc1nn(CCC(=O)O)c2c1C(CCN)CCC2
InChIInChI=1S/C14H23N3O2/c1-2-11-14-10(6-8-15)4-3-5-12(14)17(16-11)9-7-13(18)19/h10H,2-9,15H2,1H3,(H,18,19)
InChIKeyGVHVLUXKUZYCIG-UHFFFAOYSA-N
XLogP1.69
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminoethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(2-aminoethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid (CID 82592828) is 3-[4-(2-aminoethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(2-aminoethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(2-aminoethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid is CCc1nn(CCC(=O)O)c2c1C(CCN)CCC2.
What is the InChIKey of 3-[4-(2-aminoethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid?
The InChIKey is GVHVLUXKUZYCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-11-14-10(6-8-15)4-3-5-12(14)17(16-11)9-7-13(18)19/h10H,2-9,15H2,1H3,(H,18,19).
What are the key properties of 3-[4-(2-aminoethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid?
3-[4-(2-aminoethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid has a molecular weight of 265.36 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminoethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid is sourced from PubChem (CID 82592828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).