2-[2-(9H-carbazol-3-yl)-2-oxoethoxy]acetic acid

C16H13NO4 — CID 61329919

IUPAC2-[2-(9H-carbazol-3-yl)-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C16H13NO4/c18-15(8-21-9-16(19)20)10-5-6-14-12(7-10)11-3-1-2-4-13(11)17-14/h1-7,17H,8-9H2,(H,19,20)
InChIKeyMJCBFBQLCIVWIA-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.61
Rot. Bonds5

About 2-[2-(9H-carbazol-3-yl)-2-oxoethoxy]acetic acid

2-[2-(9H-carbazol-3-yl)-2-oxoethoxy]acetic acid (PubChem CID 61329919) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-[2-(9H-carbazol-3-yl)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(9H-carbazol-3-yl)-2-oxoethoxy]acetic acid
PubChem CID61329919
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name2-[2-(9H-carbazol-3-yl)-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C16H13NO4/c18-15(8-21-9-16(19)20)10-5-6-14-12(7-10)11-3-1-2-4-13(11)17-14/h1-7,17H,8-9H2,(H,19,20)
InChIKeyMJCBFBQLCIVWIA-UHFFFAOYSA-N
XLogP2.61
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(9H-carbazol-3-yl)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(9H-carbazol-3-yl)-2-oxoethoxy]acetic acid (CID 61329919) is 2-[2-(9H-carbazol-3-yl)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(9H-carbazol-3-yl)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(9H-carbazol-3-yl)-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)c1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of 2-[2-(9H-carbazol-3-yl)-2-oxoethoxy]acetic acid?
The InChIKey is MJCBFBQLCIVWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c18-15(8-21-9-16(19)20)10-5-6-14-12(7-10)11-3-1-2-4-13(11)17-14/h1-7,17H,8-9H2,(H,19,20).
What are the key properties of 2-[2-(9H-carbazol-3-yl)-2-oxoethoxy]acetic acid?
2-[2-(9H-carbazol-3-yl)-2-oxoethoxy]acetic acid has a molecular weight of 283.28 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9H-carbazol-3-yl)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61329919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).