cis-(1S,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid

C11H12FNO2 — CID 11344820

IUPACcis-(1S,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid
SMILESNC[C@]1(C(=O)O)C[C@@]1(F)c1ccccc1
InChIInChI=1S/C11H12FNO2/c12-11(8-4-2-1-3-5-8)6-10(11,7-13)9(14)15/h1-5H,6-7,13H2,(H,14,15)/t10-,11+/m0/s1
InChIKeyIEOXLICRGATAAG-WDEREUQCSA-N
MW209.22 g/mol
LogP1.28
Rot. Bonds3

About cis-(1S,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid

cis-(1S,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 11344820) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is cis-(1S,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid
PubChem CID11344820
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Namecis-(1S,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid
SMILESNC[C@]1(C(=O)O)C[C@@]1(F)c1ccccc1
InChIInChI=1S/C11H12FNO2/c12-11(8-4-2-1-3-5-8)6-10(11,7-13)9(14)15/h1-5H,6-7,13H2,(H,14,15)/t10-,11+/m0/s1
InChIKeyIEOXLICRGATAAG-WDEREUQCSA-N
XLogP1.28
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid
CID 11344819
2,2-diphenylcyclopropane-1,1-dicarboxylic acid
CID 18401961
(1S)-2,2-difluoro-1-phenylcyclopropane-1-carboxamide
CID 134595983
3,3-difluoro-1-phenylcyclopentane-1-carboxylic acid
CID 105483674
(1R)-1-methyl-2,2-diphenylcyclopropane-1-carboxamide
CID 86339419
4-(aminomethyl)-4-(2-carboxyethyl)-1-phenylcyclohexane-1-carboxylic acid
CID 70489108
[(1R)-2-fluoro-1-phenylcyclopropyl]methanamine
CID 126843009
N-(2-aminoethyl)-1-phenyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 107493531
(1,3,3-triphenylcyclobutyl)benzene
CID 101271353
N-(2-aminoethyl)-2-bromo-N-(1-phenylcyclopropyl)acetamide
CID 138471913
cis-(1S,2R)-2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid
CID 10954383
trans-(1S,2R)-1-amino-2-methyl-2-phenylcyclopropane-1-carboxylic acid;hydrochloride
CID 126795409

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid (CID 11344820) is cis-(1S,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid is NC[C@]1(C(=O)O)C[C@@]1(F)c1ccccc1.
What is the InChIKey of cis-(1S,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is IEOXLICRGATAAG-WDEREUQCSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-11(8-4-2-1-3-5-8)6-10(11,7-13)9(14)15/h1-5H,6-7,13H2,(H,14,15)/t10-,11+/m0/s1.
What are the key properties of cis-(1S,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid?
cis-(1S,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 209.22 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 11344820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).