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

C15H19N3O3 — CID 122107082

IUPAC3-methyl-2-[[2-(1-methylindazol-3-yl)acetyl]amino]butanoic acid
SMILESCC(C)C(NC(=O)Cc1nn(C)c2ccccc12)C(=O)O
InChIInChI=1S/C15H19N3O3/c1-9(2)14(15(20)21)16-13(19)8-11-10-6-4-5-7-12(10)18(3)17-11/h4-7,9,14H,8H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyUXFFSFXHQNOIBE-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.34
Rot. Bonds5

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

3-methyl-2-[[2-(1-methylindazol-3-yl)acetyl]amino]butanoic acid (PubChem CID 122107082) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-methyl-2-[[2-(1-methylindazol-3-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[2-(1-methylindazol-3-yl)acetyl]amino]butanoic acid
PubChem CID122107082
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-methyl-2-[[2-(1-methylindazol-3-yl)acetyl]amino]butanoic acid
SMILESCC(C)C(NC(=O)Cc1nn(C)c2ccccc12)C(=O)O
InChIInChI=1S/C15H19N3O3/c1-9(2)14(15(20)21)16-13(19)8-11-10-6-4-5-7-12(10)18(3)17-11/h4-7,9,14H,8H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyUXFFSFXHQNOIBE-UHFFFAOYSA-N
XLogP1.34
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid
CID 122107924
3-[[2-(1-methylindazol-3-yl)acetyl]amino]-3-(2-methylphenyl)propanoic acid
CID 122108200
(2R)-2-[(1-methylindazol-3-yl)methylamino]propanoic acid
CID 83195291
2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid
CID 122107519
3-ethoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-one
CID 116708638
2-(1-methylindazol-3-yl)acetamide
CID 67465474
(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 2084038
3,3-dimethyl-2-[(1-methylindazol-3-yl)methyl]butanoic acid
CID 83137512
4-methyl-1-(1-methylindazol-3-yl)hexan-2-one
CID 115778384
2-[[2-(1-methylindazol-3-yl)acetyl]amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid
CID 122109293
N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(1-methylindazol-3-yl)acetamide
CID 136587134
3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103116350

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-(1-methylindazol-3-yl)acetyl]amino]butanoic acid?
The IUPAC name of 3-methyl-2-[[2-(1-methylindazol-3-yl)acetyl]amino]butanoic acid (CID 122107082) is 3-methyl-2-[[2-(1-methylindazol-3-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[2-(1-methylindazol-3-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[[2-(1-methylindazol-3-yl)acetyl]amino]butanoic acid is CC(C)C(NC(=O)Cc1nn(C)c2ccccc12)C(=O)O.
What is the InChIKey of 3-methyl-2-[[2-(1-methylindazol-3-yl)acetyl]amino]butanoic acid?
The InChIKey is UXFFSFXHQNOIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9(2)14(15(20)21)16-13(19)8-11-10-6-4-5-7-12(10)18(3)17-11/h4-7,9,14H,8H2,1-3H3,(H,16,19)(H,20,21).
What are the key properties of 3-methyl-2-[[2-(1-methylindazol-3-yl)acetyl]amino]butanoic acid?
3-methyl-2-[[2-(1-methylindazol-3-yl)acetyl]amino]butanoic acid has a molecular weight of 289.33 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-(1-methylindazol-3-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 122107082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).