2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid

C14H13NO3 — CID 117359601

IUPAC2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid
SMILESO=C(O)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C14H13NO3/c16-13(14(17)18)8-5-6-12-10(7-8)9-3-1-2-4-11(9)15-12/h5-7,15H,1-4H2,(H,17,18)
InChIKeyITBXAYSUKYYSAR-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.31
Rot. Bonds2

About 2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid

2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid (PubChem CID 117359601) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid
PubChem CID117359601
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid
SMILESO=C(O)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C14H13NO3/c16-13(14(17)18)8-5-6-12-10(7-8)9-3-1-2-4-11(9)15-12/h5-7,15H,1-4H2,(H,17,18)
InChIKeyITBXAYSUKYYSAR-UHFFFAOYSA-N
XLogP2.31
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46560236
N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18109932
3-oxobutan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 46792554
[(2S)-1-amino-1-oxopropan-2-yl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 7404453
3-oxo-2-(pyrrolidine-1-carbonyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)propanenitrile
CID 75404024
2-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid
CID 117330639
2-amino-3-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid
CID 117362582
2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylic acid
CID 83886993
N-(3-acetamidophenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27258967
N'-(1,3-benzodioxole-5-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 34255025
N'-hydroxy-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboximidamide
CID 141242413
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 24641089

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid?
The IUPAC name of 2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid (CID 117359601) is 2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid.
What is the SMILES notation for 2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid?
The canonical SMILES for 2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid is O=C(O)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of 2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid?
The InChIKey is ITBXAYSUKYYSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c16-13(14(17)18)8-5-6-12-10(7-8)9-3-1-2-4-11(9)15-12/h5-7,15H,1-4H2,(H,17,18).
What are the key properties of 2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid?
2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid has a molecular weight of 243.26 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid is sourced from PubChem (CID 117359601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).