3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]propanoic acid

C19H18N2O4 — CID 2787525

IUPAC3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]propanoic acid
SMILESO=C(COc1ccccc1)NC(Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C19H18N2O4/c22-18(12-25-14-6-2-1-3-7-14)21-17(19(23)24)10-13-11-20-16-9-5-4-8-15(13)16/h1-9,11,17,20H,10,12H2,(H,21,22)(H,23,24)
InChIKeyGBPLKGFOOYJDPA-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.36
Rot. Bonds7

About 3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]propanoic acid

3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]propanoic acid (PubChem CID 2787525) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]propanoic acid
PubChem CID2787525
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]propanoic acid
SMILESO=C(COc1ccccc1)NC(Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C19H18N2O4/c22-18(12-25-14-6-2-1-3-7-14)21-17(19(23)24)10-13-11-20-16-9-5-4-8-15(13)16/h1-9,11,17,20H,10,12H2,(H,21,22)(H,23,24)
InChIKeyGBPLKGFOOYJDPA-UHFFFAOYSA-N
XLogP2.36
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 7232561
3-(1H-indol-3-yl)-2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]propanoic acid
CID 53263905
(2S)-3-(1H-indol-3-yl)-2-[(2-iodoacetyl)amino]propanoic acid
CID 91089934
(2S)-3-(1H-indol-3-yl)-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid
CID 59096141
(2S)-2-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 45339892
3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]-N-(2-phenylethyl)propanamide
CID 42701396
(2R)-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 1078077
(2R)-3-(1H-indol-3-yl)-2-[[2-[4-(1-oxoisochromen-3-yl)phenoxy]acetyl]amino]propanoic acid
CID 124931905
(2S)-3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]propanoate
CID 6963896
(2R)-3-(1H-indol-3-yl)-2-[[2-(4-methylphenoxy)acetyl]amino]propanoate
CID 6958099
2-[[2-[(3-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]acetyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 91927906
3-(1H-indol-3-yl)-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetyl]amino]propanoic acid
CID 75531879

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]propanoic acid?
The IUPAC name of 3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]propanoic acid (CID 2787525) is 3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]propanoic acid.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]propanoic acid?
The canonical SMILES for 3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]propanoic acid is O=C(COc1ccccc1)NC(Cc1c[nH]c2ccccc12)C(=O)O.
What is the InChIKey of 3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]propanoic acid?
The InChIKey is GBPLKGFOOYJDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-18(12-25-14-6-2-1-3-7-14)21-17(19(23)24)10-13-11-20-16-9-5-4-8-15(13)16/h1-9,11,17,20H,10,12H2,(H,21,22)(H,23,24).
What are the key properties of 3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]propanoic acid?
3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]propanoic acid has a molecular weight of 338.36 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]propanoic acid is sourced from PubChem (CID 2787525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).