methyl 2-amino-3-[5-(2-methoxyethoxy)-1H-indol-3-yl]propanoate

C15H20N2O4 — CID 123770984

IUPACmethyl 2-amino-3-[5-(2-methoxyethoxy)-1H-indol-3-yl]propanoate
SMILESCOCCOc1ccc2[nH]cc(CC(N)C(=O)OC)c2c1
InChIInChI=1S/C15H20N2O4/c1-19-5-6-21-11-3-4-14-12(8-11)10(9-17-14)7-13(16)15(18)20-2/h3-4,8-9,13,17H,5-7,16H2,1-2H3
InChIKeyDGGVTHFATNNPAU-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.24
Rot. Bonds7

About methyl 2-amino-3-[5-(2-methoxyethoxy)-1H-indol-3-yl]propanoate

methyl 2-amino-3-[5-(2-methoxyethoxy)-1H-indol-3-yl]propanoate (PubChem CID 123770984) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 2-amino-3-[5-(2-methoxyethoxy)-1H-indol-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[5-(2-methoxyethoxy)-1H-indol-3-yl]propanoate
PubChem CID123770984
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namemethyl 2-amino-3-[5-(2-methoxyethoxy)-1H-indol-3-yl]propanoate
SMILESCOCCOc1ccc2[nH]cc(CC(N)C(=O)OC)c2c1
InChIInChI=1S/C15H20N2O4/c1-19-5-6-21-11-3-4-14-12(8-11)10(9-17-14)7-13(16)15(18)20-2/h3-4,8-9,13,17H,5-7,16H2,1-2H3
InChIKeyDGGVTHFATNNPAU-UHFFFAOYSA-N
XLogP1.24
TPSA86.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-3-(5-amino-1H-indol-3-yl)propanoate
CID 22669210
methyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate
CID 14288547
(2S)-2-amino-3-[5-(2-fluoroethoxy)-1H-indol-3-yl]propanoic acid
CID 91265595
(2S)-2-amino-3-(5-ethoxy-1H-indol-3-yl)propanoic acid
CID 131887373
(2S)-2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid
CID 175665456
3-[4-[2-[[3-[(2S)-2-amino-2-carboxyethyl]-1H-indol-5-yl]oxy]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 141111719
2-[[3-[(2S)-3-methoxy-2-methyl-3-oxopropyl]-1H-indol-5-yl]oxy]acetic acid
CID 59909911
methyl (2S)-2-amino-3-(6-phenylmethoxy-1H-indol-3-yl)propanoate
CID 94003873
methyl 2-amino-3-(5,6-difluoro-1H-indol-3-yl)propanoate
CID 166609513
acetic acid;3-(5-acetyloxy-1H-indol-3-yl)-2-aminopropanoic acid
CID 23319769
2-amino-3-[5-[2-[4-[2-(2-carboxyethoxy)ethyl]phenoxy]ethoxy]-1H-indol-3-yl]propanoic acid
CID 174519471
methyl 3-(2-amino-3-methoxy-3-oxopropyl)-1H-indole-6-carboxylate
CID 20768833

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[5-(2-methoxyethoxy)-1H-indol-3-yl]propanoate?
The IUPAC name of methyl 2-amino-3-[5-(2-methoxyethoxy)-1H-indol-3-yl]propanoate (CID 123770984) is methyl 2-amino-3-[5-(2-methoxyethoxy)-1H-indol-3-yl]propanoate.
What is the SMILES notation for methyl 2-amino-3-[5-(2-methoxyethoxy)-1H-indol-3-yl]propanoate?
The canonical SMILES for methyl 2-amino-3-[5-(2-methoxyethoxy)-1H-indol-3-yl]propanoate is COCCOc1ccc2[nH]cc(CC(N)C(=O)OC)c2c1.
What is the InChIKey of methyl 2-amino-3-[5-(2-methoxyethoxy)-1H-indol-3-yl]propanoate?
The InChIKey is DGGVTHFATNNPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-19-5-6-21-11-3-4-14-12(8-11)10(9-17-14)7-13(16)15(18)20-2/h3-4,8-9,13,17H,5-7,16H2,1-2H3.
What are the key properties of methyl 2-amino-3-[5-(2-methoxyethoxy)-1H-indol-3-yl]propanoate?
methyl 2-amino-3-[5-(2-methoxyethoxy)-1H-indol-3-yl]propanoate has a molecular weight of 292.34 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[5-(2-methoxyethoxy)-1H-indol-3-yl]propanoate is sourced from PubChem (CID 123770984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).