4-[(4-methoxy-1-methylindazol-3-yl)amino]-4-oxobutanoic acid

C13H15N3O4 — CID 2811432

IUPAC4-[(4-methoxy-1-methylindazol-3-yl)amino]-4-oxobutanoic acid
SMILESCOc1cccc2c1c(NC(=O)CCC(=O)O)nn2C
InChIInChI=1S/C13H15N3O4/c1-16-8-4-3-5-9(20-2)12(8)13(15-16)14-10(17)6-7-11(18)19/h3-5H,6-7H2,1-2H3,(H,18,19)(H,14,15,17)
InChIKeyRGIVNJFZNWFQLD-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.39
Rot. Bonds5

About 4-[(4-methoxy-1-methylindazol-3-yl)amino]-4-oxobutanoic acid

4-[(4-methoxy-1-methylindazol-3-yl)amino]-4-oxobutanoic acid (PubChem CID 2811432) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 4-[(4-methoxy-1-methylindazol-3-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(4-methoxy-1-methylindazol-3-yl)amino]-4-oxobutanoic acid
PubChem CID2811432
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name4-[(4-methoxy-1-methylindazol-3-yl)amino]-4-oxobutanoic acid
SMILESCOc1cccc2c1c(NC(=O)CCC(=O)O)nn2C
InChIInChI=1S/C13H15N3O4/c1-16-8-4-3-5-9(20-2)12(8)13(15-16)14-10(17)6-7-11(18)19/h3-5H,6-7H2,1-2H3,(H,18,19)(H,14,15,17)
InChIKeyRGIVNJFZNWFQLD-UHFFFAOYSA-N
XLogP1.39
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-3-(3-oxo-1,2-oxazol-5-yl)propanamide
CID 70783675
1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-(2-methoxyphenyl)urea
CID 2812683
N-(4-chloro-1-methylindazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide
CID 162635235
5-methoxy-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-4-oxopyran-2-carboxamide
CID 70714738
4-[2-[(2-methoxyphenyl)carbamoyl]anilino]-4-oxobutanoic acid
CID 851954
2-(4-methoxy-1-methylindol-3-yl)acetic acid
CID 82278588
2-(4-methoxy-3-methylindazol-1-yl)acetic acid
CID 84685422
3-(4-methoxy-3-sulfamoylindol-1-yl)propanoic acid
CID 83173822
N-(2-methoxyphenyl)-1-methylindazole-3-carboxamide
CID 110859879
4-[(2-hydroxy-3-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 9151041
4-[(5-cyano-3-methoxy-2-pyridinyl)amino]-4-oxobutanoic acid
CID 123668333
3-[5-(2-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]propanoic acid
CID 82485015

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-1-methylindazol-3-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(4-methoxy-1-methylindazol-3-yl)amino]-4-oxobutanoic acid (CID 2811432) is 4-[(4-methoxy-1-methylindazol-3-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(4-methoxy-1-methylindazol-3-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(4-methoxy-1-methylindazol-3-yl)amino]-4-oxobutanoic acid is COc1cccc2c1c(NC(=O)CCC(=O)O)nn2C.
What is the InChIKey of 4-[(4-methoxy-1-methylindazol-3-yl)amino]-4-oxobutanoic acid?
The InChIKey is RGIVNJFZNWFQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-16-8-4-3-5-9(20-2)12(8)13(15-16)14-10(17)6-7-11(18)19/h3-5H,6-7H2,1-2H3,(H,18,19)(H,14,15,17).
What are the key properties of 4-[(4-methoxy-1-methylindazol-3-yl)amino]-4-oxobutanoic acid?
4-[(4-methoxy-1-methylindazol-3-yl)amino]-4-oxobutanoic acid has a molecular weight of 277.28 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-1-methylindazol-3-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 2811432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).