3-(1,1,3,3-tetramethyl-2,4-dihydropyrido[4,3-b]indol-5-yl)propanoic acid

C18H24N2O2 — CID 625267

IUPAC3-(1,1,3,3-tetramethyl-2,4-dihydropyrido[4,3-b]indol-5-yl)propanoic acid
SMILESCC1(C)Cc2c(c3ccccc3n2CCC(=O)O)C(C)(C)N1
InChIInChI=1S/C18H24N2O2/c1-17(2)11-14-16(18(3,4)19-17)12-7-5-6-8-13(12)20(14)10-9-15(21)22/h5-8,19H,9-11H2,1-4H3,(H,21,22)
InChIKeyYEBNHDNLTDDSCG-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.28
Rot. Bonds3

About 3-(1,1,3,3-tetramethyl-2,4-dihydropyrido[4,3-b]indol-5-yl)propanoic acid

3-(1,1,3,3-tetramethyl-2,4-dihydropyrido[4,3-b]indol-5-yl)propanoic acid (PubChem CID 625267) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-(1,1,3,3-tetramethyl-2,4-dihydropyrido[4,3-b]indol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(1,1,3,3-tetramethyl-2,4-dihydropyrido[4,3-b]indol-5-yl)propanoic acid
PubChem CID625267
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-(1,1,3,3-tetramethyl-2,4-dihydropyrido[4,3-b]indol-5-yl)propanoic acid
SMILESCC1(C)Cc2c(c3ccccc3n2CCC(=O)O)C(C)(C)N1
InChIInChI=1S/C18H24N2O2/c1-17(2)11-14-16(18(3,4)19-17)12-7-5-6-8-13(12)20(14)10-9-15(21)22/h5-8,19H,9-11H2,1-4H3,(H,21,22)
InChIKeyYEBNHDNLTDDSCG-UHFFFAOYSA-N
XLogP3.28
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,3,3-tetramethyl-2,4-dihydropyrido[4,3-b]indol-5-yl)propanoic acid?
The IUPAC name of 3-(1,1,3,3-tetramethyl-2,4-dihydropyrido[4,3-b]indol-5-yl)propanoic acid (CID 625267) is 3-(1,1,3,3-tetramethyl-2,4-dihydropyrido[4,3-b]indol-5-yl)propanoic acid.
What is the SMILES notation for 3-(1,1,3,3-tetramethyl-2,4-dihydropyrido[4,3-b]indol-5-yl)propanoic acid?
The canonical SMILES for 3-(1,1,3,3-tetramethyl-2,4-dihydropyrido[4,3-b]indol-5-yl)propanoic acid is CC1(C)Cc2c(c3ccccc3n2CCC(=O)O)C(C)(C)N1.
What is the InChIKey of 3-(1,1,3,3-tetramethyl-2,4-dihydropyrido[4,3-b]indol-5-yl)propanoic acid?
The InChIKey is YEBNHDNLTDDSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-17(2)11-14-16(18(3,4)19-17)12-7-5-6-8-13(12)20(14)10-9-15(21)22/h5-8,19H,9-11H2,1-4H3,(H,21,22).
What are the key properties of 3-(1,1,3,3-tetramethyl-2,4-dihydropyrido[4,3-b]indol-5-yl)propanoic acid?
3-(1,1,3,3-tetramethyl-2,4-dihydropyrido[4,3-b]indol-5-yl)propanoic acid has a molecular weight of 300.40 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,3,3-tetramethyl-2,4-dihydropyrido[4,3-b]indol-5-yl)propanoic acid is sourced from PubChem (CID 625267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).