3-[(2R)-2-aminopropyl]-4-fluoroindole-1-carboxylic acid

C12H13FN2O2 — CID 91245126

IUPAC3-[(2R)-2-aminopropyl]-4-fluoroindole-1-carboxylic acid
SMILESC[C@@H](N)Cc1cn(C(=O)O)c2cccc(F)c12
InChIInChI=1S/C12H13FN2O2/c1-7(14)5-8-6-15(12(16)17)10-4-2-3-9(13)11(8)10/h2-4,6-7H,5,14H2,1H3,(H,16,17)/t7-/m1/s1
InChIKeyBCAMKNXMROPJCP-SSDOTTSWSA-N
MW236.25 g/mol
LogP2.20
Rot. Bonds2

About 3-[(2R)-2-aminopropyl]-4-fluoroindole-1-carboxylic acid

3-[(2R)-2-aminopropyl]-4-fluoroindole-1-carboxylic acid (PubChem CID 91245126) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 3-[(2R)-2-aminopropyl]-4-fluoroindole-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2R)-2-aminopropyl]-4-fluoroindole-1-carboxylic acid
PubChem CID91245126
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name3-[(2R)-2-aminopropyl]-4-fluoroindole-1-carboxylic acid
SMILESC[C@@H](N)Cc1cn(C(=O)O)c2cccc(F)c12
InChIInChI=1S/C12H13FN2O2/c1-7(14)5-8-6-15(12(16)17)10-4-2-3-9(13)11(8)10/h2-4,6-7H,5,14H2,1H3,(H,16,17)/t7-/m1/s1
InChIKeyBCAMKNXMROPJCP-SSDOTTSWSA-N
XLogP2.20
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-aminopropyl]-4-fluoroindole-1-carboxylic acid?
The IUPAC name of 3-[(2R)-2-aminopropyl]-4-fluoroindole-1-carboxylic acid (CID 91245126) is 3-[(2R)-2-aminopropyl]-4-fluoroindole-1-carboxylic acid.
What is the SMILES notation for 3-[(2R)-2-aminopropyl]-4-fluoroindole-1-carboxylic acid?
The canonical SMILES for 3-[(2R)-2-aminopropyl]-4-fluoroindole-1-carboxylic acid is C[C@@H](N)Cc1cn(C(=O)O)c2cccc(F)c12.
What is the InChIKey of 3-[(2R)-2-aminopropyl]-4-fluoroindole-1-carboxylic acid?
The InChIKey is BCAMKNXMROPJCP-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-7(14)5-8-6-15(12(16)17)10-4-2-3-9(13)11(8)10/h2-4,6-7H,5,14H2,1H3,(H,16,17)/t7-/m1/s1.
What are the key properties of 3-[(2R)-2-aminopropyl]-4-fluoroindole-1-carboxylic acid?
3-[(2R)-2-aminopropyl]-4-fluoroindole-1-carboxylic acid has a molecular weight of 236.25 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-aminopropyl]-4-fluoroindole-1-carboxylic acid is sourced from PubChem (CID 91245126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).