2-(aminomethyl)-2-[(1-ethylindazol-3-yl)methyl]butanoic acid

C15H21N3O2 — CID 106487389

IUPAC2-(aminomethyl)-2-[(1-ethylindazol-3-yl)methyl]butanoic acid
SMILESCCn1nc(CC(CC)(CN)C(=O)O)c2ccccc21
InChIInChI=1S/C15H21N3O2/c1-3-15(10-16,14(19)20)9-12-11-7-5-6-8-13(11)18(4-2)17-12/h5-8H,3-4,9-10,16H2,1-2H3,(H,19,20)
InChIKeyLFFQMNSYJRYYKL-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.04
Rot. Bonds6

About 2-(aminomethyl)-2-[(1-ethylindazol-3-yl)methyl]butanoic acid

2-(aminomethyl)-2-[(1-ethylindazol-3-yl)methyl]butanoic acid (PubChem CID 106487389) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(1-ethylindazol-3-yl)methyl]butanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(1-ethylindazol-3-yl)methyl]butanoic acid
PubChem CID106487389
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(aminomethyl)-2-[(1-ethylindazol-3-yl)methyl]butanoic acid
SMILESCCn1nc(CC(CC)(CN)C(=O)O)c2ccccc21
InChIInChI=1S/C15H21N3O2/c1-3-15(10-16,14(19)20)9-12-11-7-5-6-8-13(11)18(4-2)17-12/h5-8H,3-4,9-10,16H2,1-2H3,(H,19,20)
InChIKeyLFFQMNSYJRYYKL-UHFFFAOYSA-N
XLogP2.04
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-2-[(1-methylindazol-3-yl)methyl]pentanoic acid
CID 106488013
2-[(1-ethylindazol-3-yl)methyl]-2-fluoropentan-1-amine
CID 112567902
ethyl 2-(aminomethyl)-2-[(1-methylindazol-3-yl)methyl]butanoate
CID 106487524
2-[(1-ethylindazol-3-yl)methyl]-2-methylpropane-1,3-diol
CID 79449826
2-[(1-ethylindazol-3-yl)methylsulfinyl]-2-methylpropanoic acid
CID 81227822
4-amino-1-(1-ethylindazol-3-yl)-4-methylpentan-2-one
CID 116581243
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-ethylindazol-3-yl)propan-1-ol
CID 106506896
6-amino-1-(1-ethylindazol-3-yl)hexan-2-one
CID 116572138
5-amino-1-(1-ethylindazol-3-yl)-2-(methoxymethyl)pentan-2-ol
CID 103391529
2-[(1-ethylindazol-3-yl)methyl]-2-methylpentan-1-ol
CID 66026128
7-amino-1-(1-ethylindazol-3-yl)heptan-2-one
CID 116550158
1-(tert-butylamino)-3-(1-ethylindazol-3-yl)-2-methylpropan-2-ol
CID 66037989

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(1-ethylindazol-3-yl)methyl]butanoic acid?
The IUPAC name of 2-(aminomethyl)-2-[(1-ethylindazol-3-yl)methyl]butanoic acid (CID 106487389) is 2-(aminomethyl)-2-[(1-ethylindazol-3-yl)methyl]butanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-[(1-ethylindazol-3-yl)methyl]butanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-[(1-ethylindazol-3-yl)methyl]butanoic acid is CCn1nc(CC(CC)(CN)C(=O)O)c2ccccc21.
What is the InChIKey of 2-(aminomethyl)-2-[(1-ethylindazol-3-yl)methyl]butanoic acid?
The InChIKey is LFFQMNSYJRYYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-15(10-16,14(19)20)9-12-11-7-5-6-8-13(11)18(4-2)17-12/h5-8H,3-4,9-10,16H2,1-2H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-2-[(1-ethylindazol-3-yl)methyl]butanoic acid?
2-(aminomethyl)-2-[(1-ethylindazol-3-yl)methyl]butanoic acid has a molecular weight of 275.35 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(1-ethylindazol-3-yl)methyl]butanoic acid is sourced from PubChem (CID 106487389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).