2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]acetic acid

C13H15N3O3 — CID 122107123

IUPAC2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cc1nn(C)c2ccccc12
InChIInChI=1S/C13H15N3O3/c1-15(8-13(18)19)12(17)7-10-9-5-3-4-6-11(9)16(2)14-10/h3-6H,7-8H2,1-2H3,(H,18,19)
InChIKeyRXWUXGVZGOMAEO-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.66
Rot. Bonds4

About 2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]acetic acid

2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]acetic acid (PubChem CID 122107123) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]acetic acid
PubChem CID122107123
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cc1nn(C)c2ccccc12
InChIInChI=1S/C13H15N3O3/c1-15(8-13(18)19)12(17)7-10-9-5-3-4-6-11(9)16(2)14-10/h3-6H,7-8H2,1-2H3,(H,18,19)
InChIKeyRXWUXGVZGOMAEO-UHFFFAOYSA-N
XLogP0.66
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Inz-1
CID 3243873
(3-methyl-1H-indazol-1-yl)acetic acid
CID 3237757
2-(2H-indazol-2-yl)acetic acid
CID 12252435
2-(3-phenyl-1H-indazol-1-yl)propanoic acid
CID 20888249
1H-Indazol-1-ylacetic acid
CID 6422830
1H-Indazole-1-acetic acid, 3-phenyl-
CID 5309553
2-(3-methyl-1H-indazol-1-yl)propanoic acid
CID 3240603
3-(1-methyl-1H-indazol-3-yl)-2,6-Piperidinedione
CID 132117981
2-(3-carbamoyl-1H-indazol-1-yl)acetic acid
CID 68283342
AB-CHMINACA Metabolite 2
CID 74951976
Methyl (3-iodo-1H-indazol-1-YL)acetate
CID 49835832
2-(1-methyl-1H-indazol-3-yl)acetic acid
CID 23126223

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]acetic acid (CID 122107123) is 2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]acetic acid is CN(CC(=O)O)C(=O)Cc1nn(C)c2ccccc12.
What is the InChIKey of 2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]acetic acid?
The InChIKey is RXWUXGVZGOMAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-15(8-13(18)19)12(17)7-10-9-5-3-4-6-11(9)16(2)14-10/h3-6H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]acetic acid?
2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]acetic acid has a molecular weight of 261.28 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 122107123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).