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

C15H17NO2 — CID 778449

IUPAC3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
SMILESO=C(O)CCn1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C15H17NO2/c17-15(18)9-10-16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16/h1,3,5,7H,2,4,6,8-10H2,(H,17,18)
InChIKeyHOLWINOWZVORSA-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.99
Rot. Bonds3

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

3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid (PubChem CID 778449) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
PubChem CID778449
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
SMILESO=C(O)CCn1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C15H17NO2/c17-15(18)9-10-16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16/h1,3,5,7H,2,4,6,8-10H2,(H,17,18)
InChIKeyHOLWINOWZVORSA-UHFFFAOYSA-N
XLogP2.99
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.99
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 3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid?
The IUPAC name of 3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid (CID 778449) is 3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid.
What is the SMILES notation for 3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid?
The canonical SMILES for 3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid is O=C(O)CCn1c2c(c3ccccc31)CCCC2.
What is the InChIKey of 3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid?
The InChIKey is HOLWINOWZVORSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c17-15(18)9-10-16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16/h1,3,5,7H,2,4,6,8-10H2,(H,17,18).
What are the key properties of 3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid?
3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid has a molecular weight of 243.31 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid is sourced from PubChem (CID 778449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).