cis-(1R,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-1-fluorocyclopentane-1-carboxylic acid

C21H24FNO2 — CID 68816916

IUPACcis-(1R,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-1-fluorocyclopentane-1-carboxylic acid
SMILESC[C@H](c1ccccc1)N(Cc1ccccc1)[C@@H]1CCC[C@]1(F)C(=O)O
InChIInChI=1S/C21H24FNO2/c1-16(18-11-6-3-7-12-18)23(15-17-9-4-2-5-10-17)19-13-8-14-21(19,22)20(24)25/h2-7,9-12,16,19H,8,13-15H2,1H3,(H,24,25)/t16-,19-,21-/m1/s1
InChIKeySQGBNUQBZMHPKG-OZOXKJRCSA-N
MW341.43 g/mol
LogP4.60
Rot. Bonds6

About cis-(1R,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-1-fluorocyclopentane-1-carboxylic acid

cis-(1R,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-1-fluorocyclopentane-1-carboxylic acid (PubChem CID 68816916) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is cis-(1R,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-1-fluorocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-1-fluorocyclopentane-1-carboxylic acid
PubChem CID68816916
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC Namecis-(1R,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-1-fluorocyclopentane-1-carboxylic acid
SMILESC[C@H](c1ccccc1)N(Cc1ccccc1)[C@@H]1CCC[C@]1(F)C(=O)O
InChIInChI=1S/C21H24FNO2/c1-16(18-11-6-3-7-12-18)23(15-17-9-4-2-5-10-17)19-13-8-14-21(19,22)20(24)25/h2-7,9-12,16,19H,8,13-15H2,1H3,(H,24,25)/t16-,19-,21-/m1/s1
InChIKeySQGBNUQBZMHPKG-OZOXKJRCSA-N
XLogP4.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-1-fluorocyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-1-fluorocyclopentane-1-carboxylic acid (CID 68816916) is cis-(1R,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-1-fluorocyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-1-fluorocyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-1-fluorocyclopentane-1-carboxylic acid is C[C@H](c1ccccc1)N(Cc1ccccc1)[C@@H]1CCC[C@]1(F)C(=O)O.
What is the InChIKey of cis-(1R,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-1-fluorocyclopentane-1-carboxylic acid?
The InChIKey is SQGBNUQBZMHPKG-OZOXKJRCSA-N. The full InChI is InChI=1S/C21H24FNO2/c1-16(18-11-6-3-7-12-18)23(15-17-9-4-2-5-10-17)19-13-8-14-21(19,22)20(24)25/h2-7,9-12,16,19H,8,13-15H2,1H3,(H,24,25)/t16-,19-,21-/m1/s1.
What are the key properties of cis-(1R,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-1-fluorocyclopentane-1-carboxylic acid?
cis-(1R,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-1-fluorocyclopentane-1-carboxylic acid has a molecular weight of 341.43 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-1-fluorocyclopentane-1-carboxylic acid is sourced from PubChem (CID 68816916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).