ethane;3-(7-hydroxy-1H-indol-3-yl)propanoic acid

C13H17NO3 — CID 153346441

IUPACethane;3-(7-hydroxy-1H-indol-3-yl)propanoic acid
SMILESCC.O=C(O)CCc1c[nH]c2c(O)cccc12
InChIInChI=1S/C11H11NO3.C2H6/c13-9-3-1-2-8-7(4-5-10(14)15)6-12-11(8)9;1-2/h1-3,6,12-13H,4-5H2,(H,14,15);1-2H3
InChIKeyDBXNPVJNSAEMGB-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.92
Rot. Bonds3

About ethane;3-(7-hydroxy-1H-indol-3-yl)propanoic acid

ethane;3-(7-hydroxy-1H-indol-3-yl)propanoic acid (PubChem CID 153346441) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is ethane;3-(7-hydroxy-1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Nameethane;3-(7-hydroxy-1H-indol-3-yl)propanoic acid
PubChem CID153346441
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Nameethane;3-(7-hydroxy-1H-indol-3-yl)propanoic acid
SMILESCC.O=C(O)CCc1c[nH]c2c(O)cccc12
InChIInChI=1S/C11H11NO3.C2H6/c13-9-3-1-2-8-7(4-5-10(14)15)6-12-11(8)9;1-2/h1-3,6,12-13H,4-5H2,(H,14,15);1-2H3
InChIKeyDBXNPVJNSAEMGB-UHFFFAOYSA-N
XLogP2.92
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-ethenyl-1H-indol-3-yl)propanoic acid
CID 126584246
3-(3-methyl-1H-indol-7-yl)propanoic acid
CID 66917746
4-(7-methyl-1H-indol-3-yl)butan-2-one
CID 28806455
3-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid
CID 119233339
1-(7-hydroxy-1H-indol-3-yl)propan-2-ylcarbamic acid
CID 22014780
4-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoylamino]butanoic acid
CID 122003467
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312
2-[2-methoxyethyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]acetic acid
CID 119189819
disodium;hydride;4-(1H-indol-3-yl)butanoic acid
CID 174726095
3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride
CID 142678890
2-methyl-2-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid
CID 119200885
3-(2-amino-3-hydroxyphenyl)propanoic acid
CID 131073372

Frequently Asked Questions

What is the IUPAC name of ethane;3-(7-hydroxy-1H-indol-3-yl)propanoic acid?
The IUPAC name of ethane;3-(7-hydroxy-1H-indol-3-yl)propanoic acid (CID 153346441) is ethane;3-(7-hydroxy-1H-indol-3-yl)propanoic acid.
What is the SMILES notation for ethane;3-(7-hydroxy-1H-indol-3-yl)propanoic acid?
The canonical SMILES for ethane;3-(7-hydroxy-1H-indol-3-yl)propanoic acid is CC.O=C(O)CCc1c[nH]c2c(O)cccc12.
What is the InChIKey of ethane;3-(7-hydroxy-1H-indol-3-yl)propanoic acid?
The InChIKey is DBXNPVJNSAEMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3.C2H6/c13-9-3-1-2-8-7(4-5-10(14)15)6-12-11(8)9;1-2/h1-3,6,12-13H,4-5H2,(H,14,15);1-2H3.
What are the key properties of ethane;3-(7-hydroxy-1H-indol-3-yl)propanoic acid?
ethane;3-(7-hydroxy-1H-indol-3-yl)propanoic acid has a molecular weight of 235.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(7-hydroxy-1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 153346441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).