2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;ethane

C14H20N2O2 — CID 145142449

IUPAC2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;ethane
SMILESCC.Cc1ccc2[nH]cc(CC(N)C(=O)O)c2c1
InChIInChI=1S/C12H14N2O2.C2H6/c1-7-2-3-11-9(4-7)8(6-14-11)5-10(13)12(15)16;1-2/h2-4,6,10,14H,5,13H2,1H3,(H,15,16);1-2H3
InChIKeyHBEBJHPTOFXFPF-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.46
Rot. Bonds3

About 2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;ethane

2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;ethane (PubChem CID 145142449) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;ethane.

Molecular Properties

Compound Name2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;ethane
PubChem CID145142449
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;ethane
SMILESCC.Cc1ccc2[nH]cc(CC(N)C(=O)O)c2c1
InChIInChI=1S/C12H14N2O2.C2H6/c1-7-2-3-11-9(4-7)8(6-14-11)5-10(13)12(15)16;1-2/h2-4,6,10,14H,5,13H2,1H3,(H,15,16);1-2H3
InChIKeyHBEBJHPTOFXFPF-UHFFFAOYSA-N
XLogP2.46
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;hydrate
CID 18530245
(2S)-2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;hydrochloride
CID 21122035
(2R)-2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(5-methyl-1H-indol-3-yl)propan-1-ol
CID 159635316
(2S)-2-amino-3-[5-(4-methylphenyl)-1H-indol-3-yl]propanoic acid
CID 25111495
(2S)-2-amino-3-(6-methyl-1H-indol-3-yl)propanoic acid;hydrochloride
CID 20841984
3-(2-amino-2-carboxyethyl)-1H-indole-5-carboxylic acid
CID 22669189
2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;methane;2-methylpropane
CID 164563516
2-amino-3-(5-methylsulfanyl-1H-indol-3-yl)propanoic acid
CID 86104362
(2S)-2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid
CID 175665456
(2S)-2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;hydrate
CID 24721259
(2S)-2-amino-3-(5-nitroso-1H-indol-3-yl)propanoic acid
CID 174880510
acetic acid;3-(5-acetyloxy-1H-indol-3-yl)-2-aminopropanoic acid
CID 23319769

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;ethane?
The IUPAC name of 2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;ethane (CID 145142449) is 2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;ethane.
What is the SMILES notation for 2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;ethane?
The canonical SMILES for 2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;ethane is CC.Cc1ccc2[nH]cc(CC(N)C(=O)O)c2c1.
What is the InChIKey of 2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;ethane?
The InChIKey is HBEBJHPTOFXFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2.C2H6/c1-7-2-3-11-9(4-7)8(6-14-11)5-10(13)12(15)16;1-2/h2-4,6,10,14H,5,13H2,1H3,(H,15,16);1-2H3.
What are the key properties of 2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;ethane?
2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;ethane has a molecular weight of 248.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;ethane is sourced from PubChem (CID 145142449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).