(1R)-1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid

C10H10FNO2 — CID 97055121

IUPAC(1R)-1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid
SMILESN[C@]1(C(=O)O)CCc2c(F)cccc21
InChIInChI=1S/C10H10FNO2/c11-8-3-1-2-7-6(8)4-5-10(7,12)9(13)14/h1-3H,4-5,12H2,(H,13,14)/t10-/m1/s1
InChIKeyMPLCCXVYNVJNTL-SNVBAGLBSA-N
MW195.19 g/mol
LogP1.01
Rot. Bonds1

About (1R)-1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid

(1R)-1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid (PubChem CID 97055121) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is (1R)-1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid
PubChem CID97055121
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name(1R)-1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid
SMILESN[C@]1(C(=O)O)CCc2c(F)cccc21
InChIInChI=1S/C10H10FNO2/c11-8-3-1-2-7-6(8)4-5-10(7,12)9(13)14/h1-3H,4-5,12H2,(H,13,14)/t10-/m1/s1
InChIKeyMPLCCXVYNVJNTL-SNVBAGLBSA-N
XLogP1.01
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of (1R)-1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid (CID 97055121) is (1R)-1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for (1R)-1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for (1R)-1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid is N[C@]1(C(=O)O)CCc2c(F)cccc21.
What is the InChIKey of (1R)-1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is MPLCCXVYNVJNTL-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H10FNO2/c11-8-3-1-2-7-6(8)4-5-10(7,12)9(13)14/h1-3H,4-5,12H2,(H,13,14)/t10-/m1/s1.
What are the key properties of (1R)-1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid?
(1R)-1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 195.19 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 97055121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).