2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetic acid

C14H15NO2 — CID 1089490

IUPAC2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetic acid
SMILESO=C(O)Cn1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C14H15NO2/c16-14(17)9-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)15/h1,3,5,7H,2,4,6,8-9H2,(H,16,17)
InChIKeyNDLUYNBMLNNIRV-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.60
Rot. Bonds2

About 2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetic acid

2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetic acid (PubChem CID 1089490) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetic acid.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetic acid
PubChem CID1089490
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetic acid
SMILESO=C(O)Cn1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C14H15NO2/c16-14(17)9-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)15/h1,3,5,7H,2,4,6,8-9H2,(H,16,17)
InChIKeyNDLUYNBMLNNIRV-UHFFFAOYSA-N
XLogP2.60
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetic acid?
The IUPAC name of 2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetic acid (CID 1089490) is 2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetic acid.
What is the SMILES notation for 2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetic acid?
The canonical SMILES for 2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetic acid is O=C(O)Cn1c2c(c3ccccc31)CCCC2.
What is the InChIKey of 2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetic acid?
The InChIKey is NDLUYNBMLNNIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c16-14(17)9-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)15/h1,3,5,7H,2,4,6,8-9H2,(H,16,17).
What are the key properties of 2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetic acid?
2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetic acid has a molecular weight of 229.28 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetic acid is sourced from PubChem (CID 1089490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).