methyl 2-[(4-fluoro-1-methylindazol-5-yl)amino]propanoate

C12H14FN3O2 — CID 177288541

IUPACmethyl 2-[(4-fluoro-1-methylindazol-5-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1ccc2c(cnn2C)c1F
InChIInChI=1S/C12H14FN3O2/c1-7(12(17)18-3)15-9-4-5-10-8(11(9)13)6-14-16(10)2/h4-7,15H,1-3H3
InChIKeyNGVYRVRXKQEWOZ-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.69
Rot. Bonds3

About methyl 2-[(4-fluoro-1-methylindazol-5-yl)amino]propanoate

methyl 2-[(4-fluoro-1-methylindazol-5-yl)amino]propanoate (PubChem CID 177288541) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is methyl 2-[(4-fluoro-1-methylindazol-5-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(4-fluoro-1-methylindazol-5-yl)amino]propanoate
PubChem CID177288541
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Namemethyl 2-[(4-fluoro-1-methylindazol-5-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1ccc2c(cnn2C)c1F
InChIInChI=1S/C12H14FN3O2/c1-7(12(17)18-3)15-9-4-5-10-8(11(9)13)6-14-16(10)2/h4-7,15H,1-3H3
InChIKeyNGVYRVRXKQEWOZ-UHFFFAOYSA-N
XLogP1.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-1-methylindazol-5-amine
CID 84652063
4-fluoro-5-iodo-1-methylindazole
CID 176891640
methyl 2-(2-fluoro-4-methoxyanilino)propanoate
CID 82539504
methyl 2-[2-fluoro-3-methanimidoyl-4-(methylamino)anilino]propanoate
CID 177358964
methyl (2S)-2-(4-fluoroanilino)propanoate;hydrochloride
CID 70079411
2,2,2-trifluoro-N-(4-iodo-1-methylindazol-5-yl)acetamide
CID 139336473
methyl 2-(2-carbamothioyl-4-fluoroanilino)propanoate
CID 63674729
methyl (2R)-2-(2,4-dimethylanilino)propanoate
CID 94188227
methyl 2-(3-fluoro-2-nitroanilino)propanoate
CID 60790084
methyl 2-(5-carbamoyl-2-fluoroanilino)propanoate
CID 66172503
methyl 2-anilinopropanoate
CID 3417283
ethyl 2-(4-carbamothioyl-2,3-difluoroanilino)propanoate
CID 107934699

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-fluoro-1-methylindazol-5-yl)amino]propanoate?
The IUPAC name of methyl 2-[(4-fluoro-1-methylindazol-5-yl)amino]propanoate (CID 177288541) is methyl 2-[(4-fluoro-1-methylindazol-5-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[(4-fluoro-1-methylindazol-5-yl)amino]propanoate?
The canonical SMILES for methyl 2-[(4-fluoro-1-methylindazol-5-yl)amino]propanoate is COC(=O)C(C)Nc1ccc2c(cnn2C)c1F.
What is the InChIKey of methyl 2-[(4-fluoro-1-methylindazol-5-yl)amino]propanoate?
The InChIKey is NGVYRVRXKQEWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-7(12(17)18-3)15-9-4-5-10-8(11(9)13)6-14-16(10)2/h4-7,15H,1-3H3.
What are the key properties of methyl 2-[(4-fluoro-1-methylindazol-5-yl)amino]propanoate?
methyl 2-[(4-fluoro-1-methylindazol-5-yl)amino]propanoate has a molecular weight of 251.26 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-fluoro-1-methylindazol-5-yl)amino]propanoate is sourced from PubChem (CID 177288541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).