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

C19H23N3O2 — CID 142339045

IUPAC2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid;ethane
SMILESCC.Cn1cc(CC(N)C(=O)O)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C17H17N3O2.C2H6/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;1-2/h2-7,9-10,15H,8,18H2,1H3,(H,21,22);1-2H3
InChIKeyAMLAQJCOJAVJDD-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.22
Rot. Bonds4

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

2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid;ethane (PubChem CID 142339045) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid;ethane.

Molecular Properties

Compound Name2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid;ethane
PubChem CID142339045
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid;ethane
SMILESCC.Cn1cc(CC(N)C(=O)O)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C17H17N3O2.C2H6/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;1-2/h2-7,9-10,15H,8,18H2,1H3,(H,21,22);1-2H3
InChIKeyAMLAQJCOJAVJDD-UHFFFAOYSA-N
XLogP3.22
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.22
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
CID 134259607
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
2-amino-3-(7-methoxy-1-methylindol-3-yl)propanoic acid;ethane
CID 142339146
1-[3-(2-aminoethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one
CID 166911646
2-amino-3-(7-ethenyl-1-methylindol-3-yl)propanoic acid;ethane
CID 145142529
2-amino-3-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid
CID 83984029

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid;ethane?
The IUPAC name of 2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid;ethane (CID 142339045) is 2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid;ethane.
What is the SMILES notation for 2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid;ethane?
The canonical SMILES for 2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid;ethane is CC.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;ethane?
The InChIKey is AMLAQJCOJAVJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2.C2H6/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;1-2/h2-7,9-10,15H,8,18H2,1H3,(H,21,22);1-2H3.
What are the key properties of 2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid;ethane?
2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid;ethane has a molecular weight of 325.41 g/mol, XLogP of 3.22, 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;ethane is sourced from PubChem (CID 142339045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).