2-(9-ethylcarbazol-3-yl)-2-hydroxyacetic acid

C16H15NO3 — CID 117426376

IUPAC2-(9-ethylcarbazol-3-yl)-2-hydroxyacetic acid
SMILESCCn1c2ccccc2c2cc(C(O)C(=O)O)ccc21
InChIInChI=1S/C16H15NO3/c1-2-17-13-6-4-3-5-11(13)12-9-10(7-8-14(12)17)15(18)16(19)20/h3-9,15,18H,2H2,1H3,(H,19,20)
InChIKeyOJHZQPOIUCFHLZ-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.93
Rot. Bonds3

About 2-(9-ethylcarbazol-3-yl)-2-hydroxyacetic acid

2-(9-ethylcarbazol-3-yl)-2-hydroxyacetic acid (PubChem CID 117426376) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(9-ethylcarbazol-3-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(9-ethylcarbazol-3-yl)-2-hydroxyacetic acid
PubChem CID117426376
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-(9-ethylcarbazol-3-yl)-2-hydroxyacetic acid
SMILESCCn1c2ccccc2c2cc(C(O)C(=O)O)ccc21
InChIInChI=1S/C16H15NO3/c1-2-17-13-6-4-3-5-11(13)12-9-10(7-8-14(12)17)15(18)16(19)20/h3-9,15,18H,2H2,1H3,(H,19,20)
InChIKeyOJHZQPOIUCFHLZ-UHFFFAOYSA-N
XLogP2.93
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(9-ethylcarbazol-3-yl)propane-1,2,3-triol
CID 170819012
3-amino-1-(9-ethylcarbazol-3-yl)propane-1,2-diol
CID 170829191
3-butan-2-yl-9-ethylcarbazole
CID 23520664
9-ethylcarbazole-3-carboxylic acid
CID 4912869
9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole
CID 14093933
(1S,2R)-2-amino-1-cyclopropyl-2-(9-ethylcarbazol-3-yl)ethanol;hydrochloride
CID 171264882
(1S,2R)-2-amino-1-cyclopentyl-2-(9-ethylcarbazol-3-yl)ethanol
CID 171264885
acetic acid;9-ethylcarbazol-3-amine
CID 68649355
(1R)-1-(9-ethylcarbazol-3-yl)-2-fluoroethanamine;hydrochloride
CID 171232651
9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole
CID 102220131
2-(1-ethyl-2,4-dioxoquinazolin-3-yl)butanoic acid
CID 3014634
9-ethylcarbazole-3-carboxylate
CID 7148416

Frequently Asked Questions

What is the IUPAC name of 2-(9-ethylcarbazol-3-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(9-ethylcarbazol-3-yl)-2-hydroxyacetic acid (CID 117426376) is 2-(9-ethylcarbazol-3-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(9-ethylcarbazol-3-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(9-ethylcarbazol-3-yl)-2-hydroxyacetic acid is CCn1c2ccccc2c2cc(C(O)C(=O)O)ccc21.
What is the InChIKey of 2-(9-ethylcarbazol-3-yl)-2-hydroxyacetic acid?
The InChIKey is OJHZQPOIUCFHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-2-17-13-6-4-3-5-11(13)12-9-10(7-8-14(12)17)15(18)16(19)20/h3-9,15,18H,2H2,1H3,(H,19,20).
What are the key properties of 2-(9-ethylcarbazol-3-yl)-2-hydroxyacetic acid?
2-(9-ethylcarbazol-3-yl)-2-hydroxyacetic acid has a molecular weight of 269.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-ethylcarbazol-3-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 117426376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).