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

C15H18N2O2 — CID 117399428

IUPAC4-amino-4-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)butanoic acid
SMILESNC(CCC(=O)O)c1ccc2[nH]c3c(c2c1)CCC3
InChIInChI=1S/C15H18N2O2/c16-12(5-7-15(18)19)9-4-6-14-11(8-9)10-2-1-3-13(10)17-14/h4,6,8,12,17H,1-3,5,7,16H2,(H,18,19)
InChIKeyGLZXZGDUORYNJZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.52
Rot. Bonds4

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

4-amino-4-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)butanoic acid (PubChem CID 117399428) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-amino-4-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-4-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)butanoic acid
PubChem CID117399428
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-amino-4-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)butanoic acid
SMILESNC(CCC(=O)O)c1ccc2[nH]c3c(c2c1)CCC3
InChIInChI=1S/C15H18N2O2/c16-12(5-7-15(18)19)9-4-6-14-11(8-9)10-2-1-3-13(10)17-14/h4,6,8,12,17H,1-3,5,7,16H2,(H,18,19)
InChIKeyGLZXZGDUORYNJZ-UHFFFAOYSA-N
XLogP2.52
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid
CID 117359601
S-[2,3-dihydroxy-3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)propyl] ethanethioate
CID 170822928
6-amino-6-(2-oxo-1,3-dihydrobenzimidazol-5-yl)hexanoic acid
CID 43446952
7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 4770206
1-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)cyclobutan-1-amine
CID 117325794
(5S)-5-amino-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoic acid
CID 28931166
N'-hydroxy-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboximidamide
CID 141242413
2,3-dihydroxy-3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)propanenitrile
CID 171871224
(4R)-4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 28744449
4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 43209176

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)butanoic acid?
The IUPAC name of 4-amino-4-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)butanoic acid (CID 117399428) is 4-amino-4-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)butanoic acid.
What is the SMILES notation for 4-amino-4-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)butanoic acid?
The canonical SMILES for 4-amino-4-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)butanoic acid is NC(CCC(=O)O)c1ccc2[nH]c3c(c2c1)CCC3.
What is the InChIKey of 4-amino-4-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)butanoic acid?
The InChIKey is GLZXZGDUORYNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-12(5-7-15(18)19)9-4-6-14-11(8-9)10-2-1-3-13(10)17-14/h4,6,8,12,17H,1-3,5,7,16H2,(H,18,19).
What are the key properties of 4-amino-4-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)butanoic acid?
4-amino-4-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)butanoic acid has a molecular weight of 258.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)butanoic acid is sourced from PubChem (CID 117399428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).