[(3R,4S)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamic acid

C15H19FN2O3 — CID 154082018

IUPAC[(3R,4S)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamic acid
SMILESCC1(C)CN([C@@H]2COC[C@@H]2NC(=O)O)c2ccc(F)cc21
InChIInChI=1S/C15H19FN2O3/c1-15(2)8-18(12-4-3-9(16)5-10(12)15)13-7-21-6-11(13)17-14(19)20/h3-5,11,13,17H,6-8H2,1-2H3,(H,19,20)/t11-,13+/m0/s1
InChIKeyQYTREZUVWKXPSG-WCQYABFASA-N
MW294.33 g/mol
LogP1.96
Rot. Bonds2

About [(3R,4S)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamic acid

[(3R,4S)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamic acid (PubChem CID 154082018) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is [(3R,4S)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R,4S)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamic acid
PubChem CID154082018
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name[(3R,4S)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamic acid
SMILESCC1(C)CN([C@@H]2COC[C@@H]2NC(=O)O)c2ccc(F)cc21
InChIInChI=1S/C15H19FN2O3/c1-15(2)8-18(12-4-3-9(16)5-10(12)15)13-7-21-6-11(13)17-14(19)20/h3-5,11,13,17H,6-8H2,1-2H3,(H,19,20)/t11-,13+/m0/s1
InChIKeyQYTREZUVWKXPSG-WCQYABFASA-N
XLogP1.96
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamic acid?
The IUPAC name of [(3R,4S)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamic acid (CID 154082018) is [(3R,4S)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamic acid.
What is the SMILES notation for [(3R,4S)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamic acid?
The canonical SMILES for [(3R,4S)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamic acid is CC1(C)CN([C@@H]2COC[C@@H]2NC(=O)O)c2ccc(F)cc21.
What is the InChIKey of [(3R,4S)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamic acid?
The InChIKey is QYTREZUVWKXPSG-WCQYABFASA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-15(2)8-18(12-4-3-9(16)5-10(12)15)13-7-21-6-11(13)17-14(19)20/h3-5,11,13,17H,6-8H2,1-2H3,(H,19,20)/t11-,13+/m0/s1.
What are the key properties of [(3R,4S)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamic acid?
[(3R,4S)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamic acid has a molecular weight of 294.33 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamic acid is sourced from PubChem (CID 154082018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).