methyl 3-(1H-indol-3-yl)-2-[[(2R)-2-phenylpropanoyl]amino]propanoate

C21H22N2O3 — CID 10337941

IUPACmethyl 3-(1H-indol-3-yl)-2-[[(2R)-2-phenylpropanoyl]amino]propanoate
SMILESCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)c1ccccc1
InChIInChI=1S/C21H22N2O3/c1-14(15-8-4-3-5-9-15)20(24)23-19(21(25)26-2)12-16-13-22-18-11-7-6-10-17(16)18/h3-11,13-14,19,22H,12H2,1-2H3,(H,23,24)/t14-,19?/m1/s1
InChIKeyAQZKMHZFWHXQJE-MJTSIZKDSA-N
MW350.42 g/mol
LogP3.17
Rot. Bonds6

About methyl 3-(1H-indol-3-yl)-2-[[(2R)-2-phenylpropanoyl]amino]propanoate

methyl 3-(1H-indol-3-yl)-2-[[(2R)-2-phenylpropanoyl]amino]propanoate (PubChem CID 10337941) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is methyl 3-(1H-indol-3-yl)-2-[[(2R)-2-phenylpropanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(1H-indol-3-yl)-2-[[(2R)-2-phenylpropanoyl]amino]propanoate
PubChem CID10337941
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Namemethyl 3-(1H-indol-3-yl)-2-[[(2R)-2-phenylpropanoyl]amino]propanoate
SMILESCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)c1ccccc1
InChIInChI=1S/C21H22N2O3/c1-14(15-8-4-3-5-9-15)20(24)23-19(21(25)26-2)12-16-13-22-18-11-7-6-10-17(16)18/h3-11,13-14,19,22H,12H2,1-2H3,(H,23,24)/t14-,19?/m1/s1
InChIKeyAQZKMHZFWHXQJE-MJTSIZKDSA-N
XLogP3.17
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanoate
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methyl 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-(methylamino)propanoyl]amino]propanoate
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methyl (2S)-3-(1H-indol-3-yl)-2-(methoxycarbonylamino)propanoate
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CID 644217
methyl (2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoate
CID 10988127
methyl (2S)-2-[(2-deuterioacetyl)amino]-3-(1H-indol-3-yl)propanoate
CID 163359044
methyl (2R)-3-(1H-indol-3-yl)-2-[(2-phenylsulfanylacetyl)amino]propanoate
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methyl 3-(1H-indol-3-yl)-2-[(2-phenylsulfanylacetyl)amino]propanoate
CID 78512807
methyl (2S)-2-[[(2S)-2-[(2-aminooxyacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 170262354
methyl (2S)-3-(1H-indol-3-yl)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate
CID 58307928
methyl (2R)-3-(1H-indol-3-yl)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate
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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1H-indol-3-yl)-2-[[(2R)-2-phenylpropanoyl]amino]propanoate?
The IUPAC name of methyl 3-(1H-indol-3-yl)-2-[[(2R)-2-phenylpropanoyl]amino]propanoate (CID 10337941) is methyl 3-(1H-indol-3-yl)-2-[[(2R)-2-phenylpropanoyl]amino]propanoate.
What is the SMILES notation for methyl 3-(1H-indol-3-yl)-2-[[(2R)-2-phenylpropanoyl]amino]propanoate?
The canonical SMILES for methyl 3-(1H-indol-3-yl)-2-[[(2R)-2-phenylpropanoyl]amino]propanoate is COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)c1ccccc1.
What is the InChIKey of methyl 3-(1H-indol-3-yl)-2-[[(2R)-2-phenylpropanoyl]amino]propanoate?
The InChIKey is AQZKMHZFWHXQJE-MJTSIZKDSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14(15-8-4-3-5-9-15)20(24)23-19(21(25)26-2)12-16-13-22-18-11-7-6-10-17(16)18/h3-11,13-14,19,22H,12H2,1-2H3,(H,23,24)/t14-,19?/m1/s1.
What are the key properties of methyl 3-(1H-indol-3-yl)-2-[[(2R)-2-phenylpropanoyl]amino]propanoate?
methyl 3-(1H-indol-3-yl)-2-[[(2R)-2-phenylpropanoyl]amino]propanoate has a molecular weight of 350.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1H-indol-3-yl)-2-[[(2R)-2-phenylpropanoyl]amino]propanoate is sourced from PubChem (CID 10337941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).