cis-benzyl (1R,2S)-2-aminocyclopentane-1-carboxylate

C13H17NO2 — CID 15002979

IUPACcis-benzyl (1R,2S)-2-aminocyclopentane-1-carboxylate
SMILESN[C@H]1CCC[C@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C13H17NO2/c14-12-8-4-7-11(12)13(15)16-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,14H2/t11-,12+/m1/s1
InChIKeyWXJKCNOVBLXVOC-NEPJUHHUSA-N
MW219.28 g/mol
LogP1.86
Rot. Bonds3

About cis-benzyl (1R,2S)-2-aminocyclopentane-1-carboxylate

cis-benzyl (1R,2S)-2-aminocyclopentane-1-carboxylate (PubChem CID 15002979) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is cis-benzyl (1R,2S)-2-aminocyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-benzyl (1R,2S)-2-aminocyclopentane-1-carboxylate
PubChem CID15002979
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namecis-benzyl (1R,2S)-2-aminocyclopentane-1-carboxylate
SMILESN[C@H]1CCC[C@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C13H17NO2/c14-12-8-4-7-11(12)13(15)16-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,14H2/t11-,12+/m1/s1
InChIKeyWXJKCNOVBLXVOC-NEPJUHHUSA-N
XLogP1.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-benzyl (1R,2S)-2-aminocyclopentane-1-carboxylate?
The IUPAC name of cis-benzyl (1R,2S)-2-aminocyclopentane-1-carboxylate (CID 15002979) is cis-benzyl (1R,2S)-2-aminocyclopentane-1-carboxylate.
What is the SMILES notation for cis-benzyl (1R,2S)-2-aminocyclopentane-1-carboxylate?
The canonical SMILES for cis-benzyl (1R,2S)-2-aminocyclopentane-1-carboxylate is N[C@H]1CCC[C@H]1C(=O)OCc1ccccc1.
What is the InChIKey of cis-benzyl (1R,2S)-2-aminocyclopentane-1-carboxylate?
The InChIKey is WXJKCNOVBLXVOC-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H17NO2/c14-12-8-4-7-11(12)13(15)16-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,14H2/t11-,12+/m1/s1.
What are the key properties of cis-benzyl (1R,2S)-2-aminocyclopentane-1-carboxylate?
cis-benzyl (1R,2S)-2-aminocyclopentane-1-carboxylate has a molecular weight of 219.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-benzyl (1R,2S)-2-aminocyclopentane-1-carboxylate is sourced from PubChem (CID 15002979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).