2-[[2-(2H-indazol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid

C14H17N3O3 — CID 119200733

IUPAC2-[[2-(2H-indazol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)Cc1[nH]nc2ccccc12)C(C)(C)C(=O)O
InChIInChI=1S/C14H17N3O3/c1-14(2,13(19)20)17(3)12(18)8-11-9-6-4-5-7-10(9)15-16-11/h4-7H,8H2,1-3H3,(H,15,16)(H,19,20)
InChIKeyVBLWWVCBAVOSHN-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.43
Rot. Bonds4

About 2-[[2-(2H-indazol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid

2-[[2-(2H-indazol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid (PubChem CID 119200733) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[[2-(2H-indazol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(2H-indazol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid
PubChem CID119200733
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[[2-(2H-indazol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)Cc1[nH]nc2ccccc12)C(C)(C)C(=O)O
InChIInChI=1S/C14H17N3O3/c1-14(2,13(19)20)17(3)12(18)8-11-9-6-4-5-7-10(9)15-16-11/h4-7H,8H2,1-3H3,(H,15,16)(H,19,20)
InChIKeyVBLWWVCBAVOSHN-UHFFFAOYSA-N
XLogP1.43
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2H-indazol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(2H-indazol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid (CID 119200733) is 2-[[2-(2H-indazol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(2H-indazol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(2H-indazol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid is CN(C(=O)Cc1[nH]nc2ccccc12)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[2-(2H-indazol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is VBLWWVCBAVOSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-14(2,13(19)20)17(3)12(18)8-11-9-6-4-5-7-10(9)15-16-11/h4-7H,8H2,1-3H3,(H,15,16)(H,19,20).
What are the key properties of 2-[[2-(2H-indazol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid?
2-[[2-(2H-indazol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2H-indazol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 119200733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).