(4R)-5-[(3-bromo-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]-4-hydroxypentanoic acid

C23H22BrNO5 — CID 66834980

IUPAC(4R)-5-[(3-bromo-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]-4-hydroxypentanoic acid
SMILESCC1(C)c2cc(OC[C@H](O)CCC(=O)O)ccc2C(=O)c2c1[nH]c1cc(Br)ccc21
InChIInChI=1S/C23H22BrNO5/c1-23(2)17-10-14(30-11-13(26)4-8-19(27)28)5-7-15(17)21(29)20-16-6-3-12(24)9-18(16)25-22(20)23/h3,5-7,9-10,13,25-26H,4,8,11H2,1-2H3,(H,27,28)/t13-/m1/s1
InChIKeyLPAFWWBVQJEAJD-CYBMUJFWSA-N
MW472.34 g/mol
LogP4.41
Rot. Bonds6

About (4R)-5-[(3-bromo-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]-4-hydroxypentanoic acid

(4R)-5-[(3-bromo-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]-4-hydroxypentanoic acid (PubChem CID 66834980) has the molecular formula C23H22BrNO5 and a molecular weight of 472.34 g/mol. Its IUPAC name is (4R)-5-[(3-bromo-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]-4-hydroxypentanoic acid.

Molecular Properties

Compound Name(4R)-5-[(3-bromo-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]-4-hydroxypentanoic acid
PubChem CID66834980
Molecular FormulaC23H22BrNO5
Molecular Weight472.34 g/mol
Exact Mass471.07
IUPAC Name(4R)-5-[(3-bromo-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]-4-hydroxypentanoic acid
SMILESCC1(C)c2cc(OC[C@H](O)CCC(=O)O)ccc2C(=O)c2c1[nH]c1cc(Br)ccc21
InChIInChI=1S/C23H22BrNO5/c1-23(2)17-10-14(30-11-13(26)4-8-19(27)28)5-7-15(17)21(29)20-16-6-3-12(24)9-18(16)25-22(20)23/h3,5-7,9-10,13,25-26H,4,8,11H2,1-2H3,(H,27,28)/t13-/m1/s1
InChIKeyLPAFWWBVQJEAJD-CYBMUJFWSA-N
XLogP4.41
TPSA99.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.34
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (4R)-5-[(3-bromo-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]-4-hydroxypentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-5-[(3-bromo-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]-4-hydroxypentanoic acid?
The IUPAC name of (4R)-5-[(3-bromo-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]-4-hydroxypentanoic acid (CID 66834980) is (4R)-5-[(3-bromo-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]-4-hydroxypentanoic acid.
What is the SMILES notation for (4R)-5-[(3-bromo-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]-4-hydroxypentanoic acid?
The canonical SMILES for (4R)-5-[(3-bromo-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]-4-hydroxypentanoic acid is CC1(C)c2cc(OC[C@H](O)CCC(=O)O)ccc2C(=O)c2c1[nH]c1cc(Br)ccc21.
What is the InChIKey of (4R)-5-[(3-bromo-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]-4-hydroxypentanoic acid?
The InChIKey is LPAFWWBVQJEAJD-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H22BrNO5/c1-23(2)17-10-14(30-11-13(26)4-8-19(27)28)5-7-15(17)21(29)20-16-6-3-12(24)9-18(16)25-22(20)23/h3,5-7,9-10,13,25-26H,4,8,11H2,1-2H3,(H,27,28)/t13-/m1/s1.
What are the key properties of (4R)-5-[(3-bromo-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]-4-hydroxypentanoic acid?
(4R)-5-[(3-bromo-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]-4-hydroxypentanoic acid has a molecular weight of 472.34 g/mol, XLogP of 4.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-[(3-bromo-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]-4-hydroxypentanoic acid is sourced from PubChem (CID 66834980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).