2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid

C17H17N3O2 — CID 134259607

IUPAC2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid
SMILESCn1cc(CC(N)C(=O)O)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C17H17N3O2/c1-20-10-13(8-15(18)17(21)22)14-3-2-12(9-16(14)20)11-4-6-19-7-5-11/h2-7,9-10,15H,8,18H2,1H3,(H,21,22)
InChIKeyFNMCNOHDAXJVBK-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.19
Rot. Bonds4

About 2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid

2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid (PubChem CID 134259607) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid
PubChem CID134259607
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid
SMILESCn1cc(CC(N)C(=O)O)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C17H17N3O2/c1-20-10-13(8-15(18)17(21)22)14-3-2-12(9-16(14)20)11-4-6-19-7-5-11/h2-7,9-10,15H,8,18H2,1H3,(H,21,22)
InChIKeyFNMCNOHDAXJVBK-UHFFFAOYSA-N
XLogP2.19
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid;ethane
CID 142339045
2-amino-3-(1-methyl-4-nitro-6-pyridin-4-ylindol-3-yl)propanoic acid;ethane
CID 145142475
2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 134497135
2-amino-3-(1,2-dimethyl-5-pyridin-4-ylindol-3-yl)propanoic acid
CID 126584122
N-dimethylsulfinamoyl-N-methyl-2-(1-methyl-6-pyridin-4-ylindol-3-yl)ethanamine
CID 166910855
2-(1-propyl-6-pyridin-4-ylindol-3-yl)ethanamine
CID 166911834
1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2-methylbutan-1-one
CID 166912305
1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one
CID 166912309
1-[3-(2-aminoethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one
CID 166911646
2-amino-3-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid
CID 83984029
2-amino-3-(7-chloro-1,5-dimethylindol-3-yl)propanoic acid
CID 71169916
2-amino-3-(3-fluoro-4-pyridinyl)propanoic acid
CID 55267324

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid (CID 134259607) is 2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid is Cn1cc(CC(N)C(=O)O)c2ccc(-c3ccncc3)cc21.
What is the InChIKey of 2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid?
The InChIKey is FNMCNOHDAXJVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-20-10-13(8-15(18)17(21)22)14-3-2-12(9-16(14)20)11-4-6-19-7-5-11/h2-7,9-10,15H,8,18H2,1H3,(H,21,22).
What are the key properties of 2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid?
2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid has a molecular weight of 295.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid is sourced from PubChem (CID 134259607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).