cis-(1R,3S)-3-(2-carbamoyl-4-fluoroanilino)cyclopentane-1-carboxylic acid

C13H15FN2O3 — CID 106322091

IUPACcis-(1R,3S)-3-(2-carbamoyl-4-fluoroanilino)cyclopentane-1-carboxylic acid
SMILESNC(=O)c1cc(F)ccc1N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H15FN2O3/c14-8-2-4-11(10(6-8)12(15)17)16-9-3-1-7(5-9)13(18)19/h2,4,6-7,9,16H,1,3,5H2,(H2,15,17)(H,18,19)/t7-,9+/m1/s1
InChIKeyOWEHLUOCASYLNB-APPZFPTMSA-N
MW266.27 g/mol
LogP1.59
Rot. Bonds4

About cis-(1R,3S)-3-(2-carbamoyl-4-fluoroanilino)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(2-carbamoyl-4-fluoroanilino)cyclopentane-1-carboxylic acid (PubChem CID 106322091) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is cis-(1R,3S)-3-(2-carbamoyl-4-fluoroanilino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(2-carbamoyl-4-fluoroanilino)cyclopentane-1-carboxylic acid
PubChem CID106322091
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Namecis-(1R,3S)-3-(2-carbamoyl-4-fluoroanilino)cyclopentane-1-carboxylic acid
SMILESNC(=O)c1cc(F)ccc1N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H15FN2O3/c14-8-2-4-11(10(6-8)12(15)17)16-9-3-1-7(5-9)13(18)19/h2,4,6-7,9,16H,1,3,5H2,(H2,15,17)(H,18,19)/t7-,9+/m1/s1
InChIKeyOWEHLUOCASYLNB-APPZFPTMSA-N
XLogP1.59
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(2-carbamoyl-4-fluoroanilino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(2-carbamoyl-4-fluoroanilino)cyclopentane-1-carboxylic acid (CID 106322091) is cis-(1R,3S)-3-(2-carbamoyl-4-fluoroanilino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(2-carbamoyl-4-fluoroanilino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(2-carbamoyl-4-fluoroanilino)cyclopentane-1-carboxylic acid is NC(=O)c1cc(F)ccc1N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-(2-carbamoyl-4-fluoroanilino)cyclopentane-1-carboxylic acid?
The InChIKey is OWEHLUOCASYLNB-APPZFPTMSA-N. The full InChI is InChI=1S/C13H15FN2O3/c14-8-2-4-11(10(6-8)12(15)17)16-9-3-1-7(5-9)13(18)19/h2,4,6-7,9,16H,1,3,5H2,(H2,15,17)(H,18,19)/t7-,9+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(2-carbamoyl-4-fluoroanilino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(2-carbamoyl-4-fluoroanilino)cyclopentane-1-carboxylic acid has a molecular weight of 266.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(2-carbamoyl-4-fluoroanilino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106322091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).