2-amino-2-(1,6-dimethylindazol-3-yl)acetic acid

C11H13N3O2 — CID 83910246

IUPAC2-amino-2-(1,6-dimethylindazol-3-yl)acetic acid
SMILESCc1ccc2c(C(N)C(=O)O)nn(C)c2c1
InChIInChI=1S/C11H13N3O2/c1-6-3-4-7-8(5-6)14(2)13-10(7)9(12)11(15)16/h3-5,9H,12H2,1-2H3,(H,15,16)
InChIKeyFHCKUHVZJVLKLE-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.97
Rot. Bonds2

About 2-amino-2-(1,6-dimethylindazol-3-yl)acetic acid

2-amino-2-(1,6-dimethylindazol-3-yl)acetic acid (PubChem CID 83910246) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-amino-2-(1,6-dimethylindazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(1,6-dimethylindazol-3-yl)acetic acid
PubChem CID83910246
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-amino-2-(1,6-dimethylindazol-3-yl)acetic acid
SMILESCc1ccc2c(C(N)C(=O)O)nn(C)c2c1
InChIInChI=1S/C11H13N3O2/c1-6-3-4-7-8(5-6)14(2)13-10(7)9(12)11(15)16/h3-5,9H,12H2,1-2H3,(H,15,16)
InChIKeyFHCKUHVZJVLKLE-UHFFFAOYSA-N
XLogP0.97
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,6-dimethylindazol-3-yl)propanoic acid
CID 83910195
3-(1-fluoroethyl)-1-methylindazole-6-carboxylic acid
CID 84687432
1,6-dimethylindazole-3-carbaldehyde
CID 20781370
2-(2,6-dimethylindazol-3-yl)propanoic acid
CID 84724269
(2-fluoro-5-methylphenyl)-(1-methylindazol-3-yl)methanol
CID 103128770
2-amino-2-(1-ethyl-5-methylindol-2-yl)acetic acid
CID 115072115
(2-methoxy-5-methylphenyl)-(1-methylindazol-3-yl)methanamine
CID 103127012
2-amino-2-(4-methyl-2-pyridinyl)acetic acid
CID 55293255
2-(3-bromo-1-methylindazol-6-yl)propanoic acid
CID 84730683
2-amino-2-(2,6-dimethyl-1-benzothiophen-3-yl)acetic acid
CID 115073041
2-(6-methyl-1-propan-2-ylindol-3-yl)propanoic acid
CID 117122158
6-bromo-3-(1-fluoroethyl)-1-methylindazole
CID 84708995

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1,6-dimethylindazol-3-yl)acetic acid?
The IUPAC name of 2-amino-2-(1,6-dimethylindazol-3-yl)acetic acid (CID 83910246) is 2-amino-2-(1,6-dimethylindazol-3-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(1,6-dimethylindazol-3-yl)acetic acid?
The canonical SMILES for 2-amino-2-(1,6-dimethylindazol-3-yl)acetic acid is Cc1ccc2c(C(N)C(=O)O)nn(C)c2c1.
What is the InChIKey of 2-amino-2-(1,6-dimethylindazol-3-yl)acetic acid?
The InChIKey is FHCKUHVZJVLKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-6-3-4-7-8(5-6)14(2)13-10(7)9(12)11(15)16/h3-5,9H,12H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-2-(1,6-dimethylindazol-3-yl)acetic acid?
2-amino-2-(1,6-dimethylindazol-3-yl)acetic acid has a molecular weight of 219.24 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1,6-dimethylindazol-3-yl)acetic acid is sourced from PubChem (CID 83910246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).