2-[(2-indazol-1-ylacetyl)-methylamino]acetic acid

C12H13N3O3 — CID 119172025

IUPAC2-[(2-indazol-1-ylacetyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cn1ncc2ccccc21
InChIInChI=1S/C12H13N3O3/c1-14(8-12(17)18)11(16)7-15-10-5-3-2-4-9(10)6-13-15/h2-6H,7-8H2,1H3,(H,17,18)
InChIKeyQFJYFWXQJWZQRW-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.58
Rot. Bonds4

About 2-[(2-indazol-1-ylacetyl)-methylamino]acetic acid

2-[(2-indazol-1-ylacetyl)-methylamino]acetic acid (PubChem CID 119172025) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[(2-indazol-1-ylacetyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-indazol-1-ylacetyl)-methylamino]acetic acid
PubChem CID119172025
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-[(2-indazol-1-ylacetyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cn1ncc2ccccc21
InChIInChI=1S/C12H13N3O3/c1-14(8-12(17)18)11(16)7-15-10-5-3-2-4-9(10)6-13-15/h2-6H,7-8H2,1H3,(H,17,18)
InChIKeyQFJYFWXQJWZQRW-UHFFFAOYSA-N
XLogP0.58
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-butan-2-yl]-(2-indazol-1-ylacetyl)amino]acetic acid
CID 99776369
N-(2-hydroxy-3-methoxypropyl)-2-indazol-1-yl-N-methylacetamide
CID 71864031
(2R)-3-[cyclopropyl-(2-indazol-1-ylacetyl)amino]-2-methylpropanoic acid
CID 99851760
3-indazol-1-ylpropanoic acid
CID 805922
2-indazol-1-yl-N-methyl-N-(2-oxoazepan-3-yl)acetamide
CID 154800335
(2S)-2-[(2-indazol-1-ylacetyl)amino]propanoic acid
CID 119238085
N-hydroxy-4-(indazol-1-ylmethyl)-N-methylbenzamide
CID 168655042
1-indazol-1-ylpropan-2-imine
CID 153009474
5-[(2-indazol-1-ylacetyl)amino]pentanoic acid
CID 119234556
2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]acetic acid
CID 43132370
2-indazol-1-yl-N-[2-(methylamino)ethyl]acetamide
CID 124684501
2-[methyl-[2-(4-methylpyrazol-1-yl)acetyl]amino]acetic acid
CID 90066955

Frequently Asked Questions

What is the IUPAC name of 2-[(2-indazol-1-ylacetyl)-methylamino]acetic acid?
The IUPAC name of 2-[(2-indazol-1-ylacetyl)-methylamino]acetic acid (CID 119172025) is 2-[(2-indazol-1-ylacetyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-indazol-1-ylacetyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2-indazol-1-ylacetyl)-methylamino]acetic acid is CN(CC(=O)O)C(=O)Cn1ncc2ccccc21.
What is the InChIKey of 2-[(2-indazol-1-ylacetyl)-methylamino]acetic acid?
The InChIKey is QFJYFWXQJWZQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-14(8-12(17)18)11(16)7-15-10-5-3-2-4-9(10)6-13-15/h2-6H,7-8H2,1H3,(H,17,18).
What are the key properties of 2-[(2-indazol-1-ylacetyl)-methylamino]acetic acid?
2-[(2-indazol-1-ylacetyl)-methylamino]acetic acid has a molecular weight of 247.25 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-indazol-1-ylacetyl)-methylamino]acetic acid is sourced from PubChem (CID 119172025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).