2-(9-benzyl-5-methylcarbazol-4-yl)oxyacetic acid

C22H19NO3 — CID 143459807

IUPAC2-(9-benzyl-5-methylcarbazol-4-yl)oxyacetic acid
SMILESCc1cccc2c1c1c(OCC(=O)O)cccc1n2Cc1ccccc1
InChIInChI=1S/C22H19NO3/c1-15-7-5-10-17-21(15)22-18(11-6-12-19(22)26-14-20(24)25)23(17)13-16-8-3-2-4-9-16/h2-12H,13-14H2,1H3,(H,24,25)
InChIKeyLXQNETUUZVTMFE-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.61
Rot. Bonds5

About 2-(9-benzyl-5-methylcarbazol-4-yl)oxyacetic acid

2-(9-benzyl-5-methylcarbazol-4-yl)oxyacetic acid (PubChem CID 143459807) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(9-benzyl-5-methylcarbazol-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(9-benzyl-5-methylcarbazol-4-yl)oxyacetic acid
PubChem CID143459807
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name2-(9-benzyl-5-methylcarbazol-4-yl)oxyacetic acid
SMILESCc1cccc2c1c1c(OCC(=O)O)cccc1n2Cc1ccccc1
InChIInChI=1S/C22H19NO3/c1-15-7-5-10-17-21(15)22-18(11-6-12-19(22)26-14-20(24)25)23(17)13-16-8-3-2-4-9-16/h2-12H,13-14H2,1H3,(H,24,25)
InChIKeyLXQNETUUZVTMFE-UHFFFAOYSA-N
XLogP4.61
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate
CID 10135735
2-[[2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetyl]amino]acetic acid
CID 10137599
2-[5-carbamoyl-9-[(3-iodophenyl)methyl]carbazol-4-yl]oxyacetic acid
CID 10207176
methyl 1-benzyl-4-(2-methoxy-2-oxoethoxy)-2-methylindole-3-carboxylate
CID 58895959
2-[[(1R)-5-benzyl-1-carbamoyl-3,4-dihydro-1H-thiopyrano[4,3-b]indol-9-yl]oxy]acetic acid
CID 87162813
2-[3-(2-amino-1,2-dihydroxyethyl)-1-benzyl-2-cyclopropylindol-4-yl]oxyacetic acid
CID 70011102
2-[5-carbamoyl-9-(3-phenylpropyl)carbazol-4-yl]oxyacetic acid
CID 22740410
2-[5-formyl-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazol-4-yl]oxyacetic acid
CID 175780981
2-[[(1R)-5-benzyl-1-carbamoyl-4-oxo-1H-thiopyrano[4,3-b]indol-9-yl]oxy]acetic acid
CID 87162725
2-[1-benzyl-3-(C-carbamoyl-N-hydroxycarbonimidoyl)-2-ethylindol-4-yl]oxyacetic acid;2-[1-benzyl-3-[(Z)-C-carbamoyl-N-methoxycarbonimidoyl]-2-ethylindol-4-yl]oxyacetic acid
CID 172923558
2-(9-benzyl-5-carbamoyl-2-thiophen-2-ylcarbazol-4-yl)oxyacetic acid
CID 22337722
2-[(9-benzyl-5-carbamoyl-8-oxo-6-sulfanyl-6,7-dihydro-5H-carbazol-4-yl)oxy]acetic acid
CID 141493629

Frequently Asked Questions

What is the IUPAC name of 2-(9-benzyl-5-methylcarbazol-4-yl)oxyacetic acid?
The IUPAC name of 2-(9-benzyl-5-methylcarbazol-4-yl)oxyacetic acid (CID 143459807) is 2-(9-benzyl-5-methylcarbazol-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(9-benzyl-5-methylcarbazol-4-yl)oxyacetic acid?
The canonical SMILES for 2-(9-benzyl-5-methylcarbazol-4-yl)oxyacetic acid is Cc1cccc2c1c1c(OCC(=O)O)cccc1n2Cc1ccccc1.
What is the InChIKey of 2-(9-benzyl-5-methylcarbazol-4-yl)oxyacetic acid?
The InChIKey is LXQNETUUZVTMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-15-7-5-10-17-21(15)22-18(11-6-12-19(22)26-14-20(24)25)23(17)13-16-8-3-2-4-9-16/h2-12H,13-14H2,1H3,(H,24,25).
What are the key properties of 2-(9-benzyl-5-methylcarbazol-4-yl)oxyacetic acid?
2-(9-benzyl-5-methylcarbazol-4-yl)oxyacetic acid has a molecular weight of 345.40 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-benzyl-5-methylcarbazol-4-yl)oxyacetic acid is sourced from PubChem (CID 143459807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).