2-(3-amino-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)butanoic acid;hydrochloride

C16H20ClFN2O2 — CID 67204415

IUPAC2-(3-amino-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)butanoic acid;hydrochloride
SMILESCCC(C(=O)O)n1c2c(c3cc(F)ccc31)CC(N)CC2.Cl
InChIInChI=1S/C16H19FN2O2.ClH/c1-2-13(16(20)21)19-14-5-3-9(17)7-11(14)12-8-10(18)4-6-15(12)19;/h3,5,7,10,13H,2,4,6,8,18H2,1H3,(H,20,21);1H
InChIKeyQODNQLOSRNFSDR-UHFFFAOYSA-N
MW326.80 g/mol
LogP3.05
Rot. Bonds3

About 2-(3-amino-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)butanoic acid;hydrochloride

2-(3-amino-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)butanoic acid;hydrochloride (PubChem CID 67204415) has the molecular formula C16H20ClFN2O2 and a molecular weight of 326.80 g/mol. Its IUPAC name is 2-(3-amino-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)butanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(3-amino-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)butanoic acid;hydrochloride
PubChem CID67204415
Molecular FormulaC16H20ClFN2O2
Molecular Weight326.80 g/mol
Exact Mass326.12
IUPAC Name2-(3-amino-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)butanoic acid;hydrochloride
SMILESCCC(C(=O)O)n1c2c(c3cc(F)ccc31)CC(N)CC2.Cl
InChIInChI=1S/C16H19FN2O2.ClH/c1-2-13(16(20)21)19-14-5-3-9(17)7-11(14)12-8-10(18)4-6-15(12)19;/h3,5,7,10,13H,2,4,6,8,18H2,1H3,(H,20,21);1H
InChIKeyQODNQLOSRNFSDR-UHFFFAOYSA-N
XLogP3.05
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)butanoic acid;hydrochloride?
The IUPAC name of 2-(3-amino-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)butanoic acid;hydrochloride (CID 67204415) is 2-(3-amino-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)butanoic acid;hydrochloride.
What is the SMILES notation for 2-(3-amino-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)butanoic acid;hydrochloride?
The canonical SMILES for 2-(3-amino-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)butanoic acid;hydrochloride is CCC(C(=O)O)n1c2c(c3cc(F)ccc31)CC(N)CC2.Cl.
What is the InChIKey of 2-(3-amino-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)butanoic acid;hydrochloride?
The InChIKey is QODNQLOSRNFSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2.ClH/c1-2-13(16(20)21)19-14-5-3-9(17)7-11(14)12-8-10(18)4-6-15(12)19;/h3,5,7,10,13H,2,4,6,8,18H2,1H3,(H,20,21);1H.
What are the key properties of 2-(3-amino-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)butanoic acid;hydrochloride?
2-(3-amino-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)butanoic acid;hydrochloride has a molecular weight of 326.80 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)butanoic acid;hydrochloride is sourced from PubChem (CID 67204415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).