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

C16H21N3O3 — CID 122107320

IUPAC2-[[2-(1-methylindazol-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)Cc1nn(C)c2ccccc12
InChIInChI=1S/C16H21N3O3/c1-11(2)9-19(10-16(21)22)15(20)8-13-12-6-4-5-7-14(12)18(3)17-13/h4-7,11H,8-10H2,1-3H3,(H,21,22)
InChIKeyZXZWGUMFEDZQEE-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.68
Rot. Bonds6

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

2-[[2-(1-methylindazol-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 122107320) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[[2-(1-methylindazol-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(1-methylindazol-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid
PubChem CID122107320
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-[[2-(1-methylindazol-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)Cc1nn(C)c2ccccc12
InChIInChI=1S/C16H21N3O3/c1-11(2)9-19(10-16(21)22)15(20)8-13-12-6-4-5-7-14(12)18(3)17-13/h4-7,11H,8-10H2,1-3H3,(H,21,22)
InChIKeyZXZWGUMFEDZQEE-UHFFFAOYSA-N
XLogP1.68
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]acetic acid
CID 122107123
2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid
CID 122107519
3-[cyclopropyl-[2-(1-methylindazol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 122108377
4-methyl-1-(1-methylindazol-3-yl)hexan-2-one
CID 115778384
2-(1-methylindazol-3-yl)acetamide
CID 67465474
(2R)-2-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid
CID 122107924
2-[(1-methylindazole-3-carbonyl)-propylamino]acetic acid
CID 103116595
2-[(1-methylindazole-3-carbonyl)-propan-2-ylamino]acetic acid
CID 103116549
3-methyl-2-[[2-(1-methylindazol-3-yl)acetyl]amino]butanoic acid
CID 122107082
3-ethoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-one
CID 116708638
2-[methyl-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetic acid
CID 119136397
2-[2-methylpropyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid
CID 62033536

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-methylindazol-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[2-(1-methylindazol-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid (CID 122107320) is 2-[[2-(1-methylindazol-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(1-methylindazol-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(1-methylindazol-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)Cc1nn(C)c2ccccc12.
What is the InChIKey of 2-[[2-(1-methylindazol-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is ZXZWGUMFEDZQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11(2)9-19(10-16(21)22)15(20)8-13-12-6-4-5-7-14(12)18(3)17-13/h4-7,11H,8-10H2,1-3H3,(H,21,22).
What are the key properties of 2-[[2-(1-methylindazol-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid?
2-[[2-(1-methylindazol-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 303.36 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-methylindazol-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 122107320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).