3-(1H-indol-3-yl)-2-[(2-methoxy-2-pyridin-3-ylacetyl)amino]propanoic acid

C19H19N3O4 — CID 167932753

IUPAC3-(1H-indol-3-yl)-2-[(2-methoxy-2-pyridin-3-ylacetyl)amino]propanoic acid
SMILESCOC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O)c1cccnc1
InChIInChI=1S/C19H19N3O4/c1-26-17(12-5-4-8-20-10-12)18(23)22-16(19(24)25)9-13-11-21-15-7-3-2-6-14(13)15/h2-8,10-11,16-17,21H,9H2,1H3,(H,22,23)(H,24,25)
InChIKeyCFNPHJBMGRBCMS-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.06
Rot. Bonds7

About 3-(1H-indol-3-yl)-2-[(2-methoxy-2-pyridin-3-ylacetyl)amino]propanoic acid

3-(1H-indol-3-yl)-2-[(2-methoxy-2-pyridin-3-ylacetyl)amino]propanoic acid (PubChem CID 167932753) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-[(2-methoxy-2-pyridin-3-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-[(2-methoxy-2-pyridin-3-ylacetyl)amino]propanoic acid
PubChem CID167932753
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name3-(1H-indol-3-yl)-2-[(2-methoxy-2-pyridin-3-ylacetyl)amino]propanoic acid
SMILESCOC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O)c1cccnc1
InChIInChI=1S/C19H19N3O4/c1-26-17(12-5-4-8-20-10-12)18(23)22-16(19(24)25)9-13-11-21-15-7-3-2-6-14(13)15/h2-8,10-11,16-17,21H,9H2,1H3,(H,22,23)(H,24,25)
InChIKeyCFNPHJBMGRBCMS-UHFFFAOYSA-N
XLogP2.06
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid
CID 582733
2-[(2,2-dichloroacetyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 3296637
(3S)-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-[[(2S)-2-[[(2R)-3,3-diphenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid
CID 10011234
2-[[2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 18745453
methyl (2R)-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanoate
CID 1240851
(2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-(1H-indol-3-yl)-2-(pyridine-2-carbonylamino)propanoyl]amino]propanoic acid
CID 102051767
methyl 3-(1H-indol-3-yl)-2-[[(2R)-2-phenylpropanoyl]amino]propanoate
CID 10337941
2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 18232551
2-[[(2S)-2-aminobutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 79023880
(2S)-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 145453560
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 25234265
(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 175717213

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-[(2-methoxy-2-pyridin-3-ylacetyl)amino]propanoic acid?
The IUPAC name of 3-(1H-indol-3-yl)-2-[(2-methoxy-2-pyridin-3-ylacetyl)amino]propanoic acid (CID 167932753) is 3-(1H-indol-3-yl)-2-[(2-methoxy-2-pyridin-3-ylacetyl)amino]propanoic acid.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-[(2-methoxy-2-pyridin-3-ylacetyl)amino]propanoic acid?
The canonical SMILES for 3-(1H-indol-3-yl)-2-[(2-methoxy-2-pyridin-3-ylacetyl)amino]propanoic acid is COC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O)c1cccnc1.
What is the InChIKey of 3-(1H-indol-3-yl)-2-[(2-methoxy-2-pyridin-3-ylacetyl)amino]propanoic acid?
The InChIKey is CFNPHJBMGRBCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-26-17(12-5-4-8-20-10-12)18(23)22-16(19(24)25)9-13-11-21-15-7-3-2-6-14(13)15/h2-8,10-11,16-17,21H,9H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 3-(1H-indol-3-yl)-2-[(2-methoxy-2-pyridin-3-ylacetyl)amino]propanoic acid?
3-(1H-indol-3-yl)-2-[(2-methoxy-2-pyridin-3-ylacetyl)amino]propanoic acid has a molecular weight of 353.38 g/mol, XLogP of 2.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-[(2-methoxy-2-pyridin-3-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 167932753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).