2-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid

C14H15NO2 — CID 117330639

IUPAC2-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc2[nH]c3c(c2c1)CCC3
InChIInChI=1S/C14H15NO2/c1-8(14(16)17)9-5-6-13-11(7-9)10-3-2-4-12(10)15-13/h5-8,15H,2-4H2,1H3,(H,16,17)
InChIKeyUTAVYMXNDKSZLB-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.84
Rot. Bonds2

About 2-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid

2-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid (PubChem CID 117330639) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid
PubChem CID117330639
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc2[nH]c3c(c2c1)CCC3
InChIInChI=1S/C14H15NO2/c1-8(14(16)17)9-5-6-13-11(7-9)10-3-2-4-12(10)15-13/h5-8,15H,2-4H2,1H3,(H,16,17)
InChIKeyUTAVYMXNDKSZLB-UHFFFAOYSA-N
XLogP2.84
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-amino-4-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)butanoic acid
CID 117399428
2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid
CID 117359601
7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 4770206
2-amino-3-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid
CID 117362582
S-[2,3-dihydroxy-3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)propyl] ethanethioate
CID 170822928
3-oxobutan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 46792554
2,3-dihydroxy-3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)propanenitrile
CID 171871224
[(2S)-1-amino-1-oxopropan-2-yl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 7404453
N-methyl-N-(1-pyridin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 60571196
N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18109932
N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46560236
N'-hydroxy-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboximidamide
CID 141242413

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid?
The IUPAC name of 2-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid (CID 117330639) is 2-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid.
What is the SMILES notation for 2-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid?
The canonical SMILES for 2-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid is CC(C(=O)O)c1ccc2[nH]c3c(c2c1)CCC3.
What is the InChIKey of 2-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid?
The InChIKey is UTAVYMXNDKSZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-8(14(16)17)9-5-6-13-11(7-9)10-3-2-4-12(10)15-13/h5-8,15H,2-4H2,1H3,(H,16,17).
What are the key properties of 2-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid?
2-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid is sourced from PubChem (CID 117330639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).