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

C16H22N2O2 — CID 145142529

IUPAC2-amino-3-(7-ethenyl-1-methylindol-3-yl)propanoic acid;ethane
SMILESC=Cc1cccc2c(CC(N)C(=O)O)cn(C)c12.CC
InChIInChI=1S/C14H16N2O2.C2H6/c1-3-9-5-4-6-11-10(7-12(15)14(17)18)8-16(2)13(9)11;1-2/h3-6,8,12H,1,7,15H2,2H3,(H,17,18);1-2H3
InChIKeyZFHWJXMTAUWKKE-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.80
Rot. Bonds4

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

2-amino-3-(7-ethenyl-1-methylindol-3-yl)propanoic acid;ethane (PubChem CID 145142529) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-amino-3-(7-ethenyl-1-methylindol-3-yl)propanoic acid;ethane.

Molecular Properties

Compound Name2-amino-3-(7-ethenyl-1-methylindol-3-yl)propanoic acid;ethane
PubChem CID145142529
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-amino-3-(7-ethenyl-1-methylindol-3-yl)propanoic acid;ethane
SMILESC=Cc1cccc2c(CC(N)C(=O)O)cn(C)c12.CC
InChIInChI=1S/C14H16N2O2.C2H6/c1-3-9-5-4-6-11-10(7-12(15)14(17)18)8-16(2)13(9)11;1-2/h3-6,8,12H,1,7,15H2,2H3,(H,17,18);1-2H3
InChIKeyZFHWJXMTAUWKKE-UHFFFAOYSA-N
XLogP2.80
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(7-methoxy-1-methylindol-3-yl)propanoic acid;ethane
CID 142339146
2-amino-3-(7-ethynyl-1-methylindol-3-yl)propanoic acid
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2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 134497135
3-amino-4-(1,7-dimethylindol-3-yl)but-1-en-2-ol;ethane
CID 142339069
2-amino-3-(7-chloro-1,5-dimethylindol-3-yl)propanoic acid
CID 71169916
(2S)-2-amino-3-[1-(1-hydroxyethyl)indol-3-yl]propanoic acid
CID 71351502
2-amino-3-[2-[2-(2-carboxyethenyl)-3-(2-ethenylphenyl)phenyl]phenyl]propanoic acid
CID 123250295
2-amino-3-[1-(3-methylbut-2-enyl)indol-3-yl]propanoic acid
CID 50908581
(2S)-2-amino-4,4-dimethyl-1-(1-methylindol-3-yl)pentan-3-one;ethane;molecular hydrogen
CID 177060885
2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid;ethane
CID 142339045
1-(7-bromo-1-methylindol-3-yl)propan-2-ol
CID 83675918
(2S)-2-amino-3-(7-formyl-1H-indol-3-yl)propanoic acid
CID 102224703

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(7-ethenyl-1-methylindol-3-yl)propanoic acid;ethane?
The IUPAC name of 2-amino-3-(7-ethenyl-1-methylindol-3-yl)propanoic acid;ethane (CID 145142529) is 2-amino-3-(7-ethenyl-1-methylindol-3-yl)propanoic acid;ethane.
What is the SMILES notation for 2-amino-3-(7-ethenyl-1-methylindol-3-yl)propanoic acid;ethane?
The canonical SMILES for 2-amino-3-(7-ethenyl-1-methylindol-3-yl)propanoic acid;ethane is C=Cc1cccc2c(CC(N)C(=O)O)cn(C)c12.CC.
What is the InChIKey of 2-amino-3-(7-ethenyl-1-methylindol-3-yl)propanoic acid;ethane?
The InChIKey is ZFHWJXMTAUWKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2.C2H6/c1-3-9-5-4-6-11-10(7-12(15)14(17)18)8-16(2)13(9)11;1-2/h3-6,8,12H,1,7,15H2,2H3,(H,17,18);1-2H3.
What are the key properties of 2-amino-3-(7-ethenyl-1-methylindol-3-yl)propanoic acid;ethane?
2-amino-3-(7-ethenyl-1-methylindol-3-yl)propanoic acid;ethane has a molecular weight of 274.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(7-ethenyl-1-methylindol-3-yl)propanoic acid;ethane is sourced from PubChem (CID 145142529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).