2-amino-3-(7-methoxy-1-methylindol-3-yl)propanoic acid;ethane

C15H22N2O3 — CID 142339146

IUPAC2-amino-3-(7-methoxy-1-methylindol-3-yl)propanoic acid;ethane
SMILESCC.COc1cccc2c(CC(N)C(=O)O)cn(C)c12
InChIInChI=1S/C13H16N2O3.C2H6/c1-15-7-8(6-10(14)13(16)17)9-4-3-5-11(18-2)12(9)15;1-2/h3-5,7,10H,6,14H2,1-2H3,(H,16,17);1-2H3
InChIKeyLGRLWQXJFGVQQB-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.17
Rot. Bonds4

About 2-amino-3-(7-methoxy-1-methylindol-3-yl)propanoic acid;ethane

2-amino-3-(7-methoxy-1-methylindol-3-yl)propanoic acid;ethane (PubChem CID 142339146) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-amino-3-(7-methoxy-1-methylindol-3-yl)propanoic acid;ethane.

Molecular Properties

Compound Name2-amino-3-(7-methoxy-1-methylindol-3-yl)propanoic acid;ethane
PubChem CID142339146
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-amino-3-(7-methoxy-1-methylindol-3-yl)propanoic acid;ethane
SMILESCC.COc1cccc2c(CC(N)C(=O)O)cn(C)c12
InChIInChI=1S/C13H16N2O3.C2H6/c1-15-7-8(6-10(14)13(16)17)9-4-3-5-11(18-2)12(9)15;1-2/h3-5,7,10H,6,14H2,1-2H3,(H,16,17);1-2H3
InChIKeyLGRLWQXJFGVQQB-UHFFFAOYSA-N
XLogP2.17
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(7-ethenyl-1-methylindol-3-yl)propanoic acid;ethane
CID 145142529
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CID 122499531
(2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid
CID 40616340
2-amino-3-(7-methoxy-1H-indol-3-yl)propanoic acid;ethane
CID 145142398
2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 134497135
3-(2-acetyloxy-3-methoxyphenyl)-2-aminopropanoic acid
CID 170879571
2-(7-methoxy-1-methylindol-3-yl)-3-methylbutanoic acid
CID 82666117
2-amino-3-[3-methoxy-2-(2-methoxyethoxy)phenyl]propanoic acid
CID 54846591
2-amino-3-(5-(18F)fluoro-2-methoxyphenyl)propanoic acid
CID 146168544
3-amino-4-(1,7-dimethylindol-3-yl)but-1-en-2-ol;ethane
CID 142339069
1-(7-methoxy-1-methylindol-3-yl)-N-methylmethanamine
CID 22139134
2-amino-3-(3-hydroxy-2-methoxyphenyl)propanoic acid
CID 117301143

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(7-methoxy-1-methylindol-3-yl)propanoic acid;ethane?
The IUPAC name of 2-amino-3-(7-methoxy-1-methylindol-3-yl)propanoic acid;ethane (CID 142339146) is 2-amino-3-(7-methoxy-1-methylindol-3-yl)propanoic acid;ethane.
What is the SMILES notation for 2-amino-3-(7-methoxy-1-methylindol-3-yl)propanoic acid;ethane?
The canonical SMILES for 2-amino-3-(7-methoxy-1-methylindol-3-yl)propanoic acid;ethane is CC.COc1cccc2c(CC(N)C(=O)O)cn(C)c12.
What is the InChIKey of 2-amino-3-(7-methoxy-1-methylindol-3-yl)propanoic acid;ethane?
The InChIKey is LGRLWQXJFGVQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3.C2H6/c1-15-7-8(6-10(14)13(16)17)9-4-3-5-11(18-2)12(9)15;1-2/h3-5,7,10H,6,14H2,1-2H3,(H,16,17);1-2H3.
What are the key properties of 2-amino-3-(7-methoxy-1-methylindol-3-yl)propanoic acid;ethane?
2-amino-3-(7-methoxy-1-methylindol-3-yl)propanoic acid;ethane has a molecular weight of 278.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(7-methoxy-1-methylindol-3-yl)propanoic acid;ethane is sourced from PubChem (CID 142339146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).