2-(9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl)propanoic acid

C18H23NO2 — CID 22757263

IUPAC2-(9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl)propanoic acid
SMILESCCn1c2c(c3ccccc31)CCCC2(C)C(C)C(=O)O
InChIInChI=1S/C18H23NO2/c1-4-19-15-10-6-5-8-13(15)14-9-7-11-18(3,16(14)19)12(2)17(20)21/h5-6,8,10,12H,4,7,9,11H2,1-3H3,(H,20,21)
InChIKeyMJUXONWQRMQJGS-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.98
Rot. Bonds3

About 2-(9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl)propanoic acid

2-(9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl)propanoic acid (PubChem CID 22757263) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl)propanoic acid
PubChem CID22757263
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-(9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl)propanoic acid
SMILESCCn1c2c(c3ccccc31)CCCC2(C)C(C)C(=O)O
InChIInChI=1S/C18H23NO2/c1-4-19-15-10-6-5-8-13(15)14-9-7-11-18(3,16(14)19)12(2)17(20)21/h5-6,8,10,12H,4,7,9,11H2,1-3H3,(H,20,21)
InChIKeyMJUXONWQRMQJGS-UHFFFAOYSA-N
XLogP3.98
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl)propanoic acid?
The IUPAC name of 2-(9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl)propanoic acid (CID 22757263) is 2-(9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl)propanoic acid.
What is the SMILES notation for 2-(9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl)propanoic acid?
The canonical SMILES for 2-(9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl)propanoic acid is CCn1c2c(c3ccccc31)CCCC2(C)C(C)C(=O)O.
What is the InChIKey of 2-(9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl)propanoic acid?
The InChIKey is MJUXONWQRMQJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-19-15-10-6-5-8-13(15)14-9-7-11-18(3,16(14)19)12(2)17(20)21/h5-6,8,10,12H,4,7,9,11H2,1-3H3,(H,20,21).
What are the key properties of 2-(9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl)propanoic acid?
2-(9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl)propanoic acid has a molecular weight of 285.39 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl)propanoic acid is sourced from PubChem (CID 22757263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).