3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)-methylamino]-2-methylpropanoic acid

C15H17FN2O3 — CID 119228024

IUPAC3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCc1cc(F)cc2[nH]c(C(=O)N(C)CC(C)C(=O)O)cc12
InChIInChI=1S/C15H17FN2O3/c1-8-4-10(16)5-12-11(8)6-13(17-12)14(19)18(3)7-9(2)15(20)21/h4-6,9,17H,7H2,1-3H3,(H,20,21)
InChIKeyIWUZTQAATODRQU-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.41
Rot. Bonds4

About 3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)-methylamino]-2-methylpropanoic acid

3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)-methylamino]-2-methylpropanoic acid (PubChem CID 119228024) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)-methylamino]-2-methylpropanoic acid
PubChem CID119228024
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCc1cc(F)cc2[nH]c(C(=O)N(C)CC(C)C(=O)O)cc12
InChIInChI=1S/C15H17FN2O3/c1-8-4-10(16)5-12-11(8)6-13(17-12)14(19)18(3)7-9(2)15(20)21/h4-6,9,17H,7H2,1-3H3,(H,20,21)
InChIKeyIWUZTQAATODRQU-UHFFFAOYSA-N
XLogP2.41
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-fluoro-1H-indole-2-carbonyl)-methylamino]-2-methylpropanoic acid
CID 119228216
3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-methylamino]-2-methylpropanoic acid
CID 119228708
2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]-4-methylpentanoic acid
CID 119188123
2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]acetic acid
CID 75513250
6-fluoro-N-(3-hydroxybutyl)-4-methyl-1H-indole-2-carboxamide
CID 111433448
3-[(2,4-difluorobenzoyl)-methylamino]-2-methylpropanoic acid
CID 55008235
N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,4,6-trimethyl-1H-indole-2-carboxamide
CID 111912425
2-methyl-3-[methyl-(2,3,5,6-tetrafluorobenzoyl)amino]propanoic acid
CID 119228036
3-[(5-fluoropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 104785540
3-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 119228796
3-[[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]methyl]-3-hydroxycyclobutane-1-carboxylic acid
CID 166366620
6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N,4-dimethyl-1H-indole-2-carboxamide
CID 175614781

Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)-methylamino]-2-methylpropanoic acid (CID 119228024) is 3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)-methylamino]-2-methylpropanoic acid is Cc1cc(F)cc2[nH]c(C(=O)N(C)CC(C)C(=O)O)cc12.
What is the InChIKey of 3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is IWUZTQAATODRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-8-4-10(16)5-12-11(8)6-13(17-12)14(19)18(3)7-9(2)15(20)21/h4-6,9,17H,7H2,1-3H3,(H,20,21).
What are the key properties of 3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)-methylamino]-2-methylpropanoic acid?
3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 292.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 119228024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).