methyl (2R)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)methylamino]propanoate

C20H22N2O3 — CID 53306565

IUPACmethyl (2R)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)methylamino]propanoate
SMILESCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc(OC)cc1
InChIInChI=1S/C20H22N2O3/c1-24-16-9-7-14(8-10-16)12-21-19(20(23)25-2)11-15-13-22-18-6-4-3-5-17(15)18/h3-10,13,19,21-22H,11-12H2,1-2H3/t19-/m1/s1
InChIKeyPLTOYKCDGVWHOQ-LJQANCHMSA-N
MW338.41 g/mol
LogP3.05
Rot. Bonds7

About methyl (2R)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)methylamino]propanoate

methyl (2R)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)methylamino]propanoate (PubChem CID 53306565) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is methyl (2R)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)methylamino]propanoate
PubChem CID53306565
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Namemethyl (2R)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)methylamino]propanoate
SMILESCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc(OC)cc1
InChIInChI=1S/C20H22N2O3/c1-24-16-9-7-14(8-10-16)12-21-19(20(23)25-2)11-15-13-22-18-6-4-3-5-17(15)18/h3-10,13,19,21-22H,11-12H2,1-2H3/t19-/m1/s1
InChIKeyPLTOYKCDGVWHOQ-LJQANCHMSA-N
XLogP3.05
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)methylamino]propanoate with MolForge

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Related Compounds

methyl (2S)-3-(1H-indol-3-yl)-2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate
CID 10620877
methyl (2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoate
CID 10988127
methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-(1H-indol-3-yl)propanoate
CID 40819780
N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 110357464
(2S)-2-(benzylamino)-3-(1H-indol-3-yl)propanoic acid
CID 11483261
2-[[4-(2-hydroxyethoxy)phenyl]methylamino]-3-(1H-indol-3-yl)propanoic acid
CID 17213314
methyl (2S)-3-(1H-indol-3-yl)-2-(methoxycarbonylamino)propanoate
CID 7018187
(2S)-3-(1H-indol-3-yl)-2-[(3,4,5-trimethoxyphenyl)methylamino]propanoic acid
CID 51997757
(2R)-2-[(4-fluorophenyl)methylamino]-3-(1H-indol-3-yl)propanoic acid
CID 51987410
(2S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-3-(1H-indol-3-yl)propanoic acid
CID 29223982
methyl (2R)-3-(1H-indol-3-yl)-2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]propanoate
CID 10767330
ethane;methyl 3-(1H-indol-3-yl)-2-methylpropanoate
CID 169189360

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)methylamino]propanoate?
The IUPAC name of methyl (2R)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)methylamino]propanoate (CID 53306565) is methyl (2R)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)methylamino]propanoate.
What is the SMILES notation for methyl (2R)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)methylamino]propanoate?
The canonical SMILES for methyl (2R)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)methylamino]propanoate is COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc(OC)cc1.
What is the InChIKey of methyl (2R)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)methylamino]propanoate?
The InChIKey is PLTOYKCDGVWHOQ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-24-16-9-7-14(8-10-16)12-21-19(20(23)25-2)11-15-13-22-18-6-4-3-5-17(15)18/h3-10,13,19,21-22H,11-12H2,1-2H3/t19-/m1/s1.
What are the key properties of methyl (2R)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)methylamino]propanoate?
methyl (2R)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)methylamino]propanoate has a molecular weight of 338.41 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)methylamino]propanoate is sourced from PubChem (CID 53306565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).