3-methyl-3-(9-propan-2-ylcarbazol-3-yl)butanoic acid

C20H23NO2 — CID 117494202

IUPAC3-methyl-3-(9-propan-2-ylcarbazol-3-yl)butanoic acid
SMILESCC(C)n1c2ccccc2c2cc(C(C)(C)CC(=O)O)ccc21
InChIInChI=1S/C20H23NO2/c1-13(2)21-17-8-6-5-7-15(17)16-11-14(9-10-18(16)21)20(3,4)12-19(22)23/h5-11,13H,12H2,1-4H3,(H,22,23)
InChIKeyIZQQHCHXJULDEH-UHFFFAOYSA-N
MW309.41 g/mol
LogP5.13
Rot. Bonds4

About 3-methyl-3-(9-propan-2-ylcarbazol-3-yl)butanoic acid

3-methyl-3-(9-propan-2-ylcarbazol-3-yl)butanoic acid (PubChem CID 117494202) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-methyl-3-(9-propan-2-ylcarbazol-3-yl)butanoic acid.

Molecular Properties

Compound Name3-methyl-3-(9-propan-2-ylcarbazol-3-yl)butanoic acid
PubChem CID117494202
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name3-methyl-3-(9-propan-2-ylcarbazol-3-yl)butanoic acid
SMILESCC(C)n1c2ccccc2c2cc(C(C)(C)CC(=O)O)ccc21
InChIInChI=1S/C20H23NO2/c1-13(2)21-17-8-6-5-7-15(17)16-11-14(9-10-18(16)21)20(3,4)12-19(22)23/h5-11,13H,12H2,1-4H3,(H,22,23)
InChIKeyIZQQHCHXJULDEH-UHFFFAOYSA-N
XLogP5.13
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-(3-propan-2-ylphenyl)butanoic acid
CID 117314732
3,5-dinitrobenzoic acid;9-propan-2-ylcarbazole
CID 139057652
3-methyl-3-(3-phenylphenyl)butanoic acid
CID 117389329
2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid
CID 83860122
3-methyl-3-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)butanoic acid
CID 117497697
9-propan-2-ylcarbazole-3-carbaldehyde
CID 16762077
9-propan-2-yl-N-propylcarbazole-3-carboxamide
CID 69163395
9-propan-2-yl-2-(9-propan-2-ylcarbazol-2-yl)carbazole
CID 170205010
3-methyl-3-[4-(2-methylpropyl)phenyl]butanoic acid
CID 79019407
3-[3-(1,1-difluoroethyl)phenyl]-3-methylbutanoic acid
CID 117357567
3-[3-(2-fluoropropyl)phenyl]-3-methylbutanoic acid
CID 117349432
3-methyl-3-naphthalen-1-ylbutanoic acid
CID 79020311

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(9-propan-2-ylcarbazol-3-yl)butanoic acid?
The IUPAC name of 3-methyl-3-(9-propan-2-ylcarbazol-3-yl)butanoic acid (CID 117494202) is 3-methyl-3-(9-propan-2-ylcarbazol-3-yl)butanoic acid.
What is the SMILES notation for 3-methyl-3-(9-propan-2-ylcarbazol-3-yl)butanoic acid?
The canonical SMILES for 3-methyl-3-(9-propan-2-ylcarbazol-3-yl)butanoic acid is CC(C)n1c2ccccc2c2cc(C(C)(C)CC(=O)O)ccc21.
What is the InChIKey of 3-methyl-3-(9-propan-2-ylcarbazol-3-yl)butanoic acid?
The InChIKey is IZQQHCHXJULDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-13(2)21-17-8-6-5-7-15(17)16-11-14(9-10-18(16)21)20(3,4)12-19(22)23/h5-11,13H,12H2,1-4H3,(H,22,23).
What are the key properties of 3-methyl-3-(9-propan-2-ylcarbazol-3-yl)butanoic acid?
3-methyl-3-(9-propan-2-ylcarbazol-3-yl)butanoic acid has a molecular weight of 309.41 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(9-propan-2-ylcarbazol-3-yl)butanoic acid is sourced from PubChem (CID 117494202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).