methyl 2-amino-3-(7-methoxy-1H-indol-2-yl)propanoate

C13H16N2O3 — CID 170884501

IUPACmethyl 2-amino-3-(7-methoxy-1H-indol-2-yl)propanoate
SMILESCOC(=O)C(N)Cc1cc2cccc(OC)c2[nH]1
InChIInChI=1S/C13H16N2O3/c1-17-11-5-3-4-8-6-9(15-12(8)11)7-10(14)13(16)18-2/h3-6,10,15H,7,14H2,1-2H3
InChIKeyMGZMEIQBDAKDHV-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.22
Rot. Bonds4

About methyl 2-amino-3-(7-methoxy-1H-indol-2-yl)propanoate

methyl 2-amino-3-(7-methoxy-1H-indol-2-yl)propanoate (PubChem CID 170884501) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is methyl 2-amino-3-(7-methoxy-1H-indol-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(7-methoxy-1H-indol-2-yl)propanoate
PubChem CID170884501
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namemethyl 2-amino-3-(7-methoxy-1H-indol-2-yl)propanoate
SMILESCOC(=O)C(N)Cc1cc2cccc(OC)c2[nH]1
InChIInChI=1S/C13H16N2O3/c1-17-11-5-3-4-8-6-9(15-12(8)11)7-10(14)13(16)18-2/h3-6,10,15H,7,14H2,1-2H3
InChIKeyMGZMEIQBDAKDHV-UHFFFAOYSA-N
XLogP1.22
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(7-methoxy-1H-indol-2-yl)ethyl]acetamide
CID 10704742
methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate
CID 10703616
methyl 2-amino-3-(5-methoxy-1H-indol-2-yl)propanoate
CID 68805241
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238
methyl 2-amino-3-(2-fluoro-6-methoxyphenyl)propanoate
CID 83810004
1-(7-methoxy-1H-indol-2-yl)ethane-1,2-diamine
CID 170895159
methyl 2-amino-2-(7-methoxy-1-benzothiophen-2-yl)acetate
CID 115072405
N-butan-2-yl-7-methoxy-1H-indole-2-carboxamide
CID 110848409
ethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate
CID 22509332
7-methoxy-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
CID 110851880
8-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690286
dimethyl 2-(1H-indol-2-ylmethyl)propanedioate
CID 132519173

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(7-methoxy-1H-indol-2-yl)propanoate?
The IUPAC name of methyl 2-amino-3-(7-methoxy-1H-indol-2-yl)propanoate (CID 170884501) is methyl 2-amino-3-(7-methoxy-1H-indol-2-yl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(7-methoxy-1H-indol-2-yl)propanoate?
The canonical SMILES for methyl 2-amino-3-(7-methoxy-1H-indol-2-yl)propanoate is COC(=O)C(N)Cc1cc2cccc(OC)c2[nH]1.
What is the InChIKey of methyl 2-amino-3-(7-methoxy-1H-indol-2-yl)propanoate?
The InChIKey is MGZMEIQBDAKDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-17-11-5-3-4-8-6-9(15-12(8)11)7-10(14)13(16)18-2/h3-6,10,15H,7,14H2,1-2H3.
What are the key properties of methyl 2-amino-3-(7-methoxy-1H-indol-2-yl)propanoate?
methyl 2-amino-3-(7-methoxy-1H-indol-2-yl)propanoate has a molecular weight of 248.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(7-methoxy-1H-indol-2-yl)propanoate is sourced from PubChem (CID 170884501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).