cis-ethyl (1R,2S)-2-(benzylamino)cyclopentane-1-carboxylate

C15H21NO2 — CID 10014866

IUPACcis-ethyl (1R,2S)-2-(benzylamino)cyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccccc1
InChIInChI=1S/C15H21NO2/c1-2-18-15(17)13-9-6-10-14(13)16-11-12-7-4-3-5-8-12/h3-5,7-8,13-14,16H,2,6,9-11H2,1H3/t13-,14+/m1/s1
InChIKeyMQQOIBAPZYNAPG-KGLIPLIRSA-N
MW247.34 g/mol
LogP2.51
Rot. Bonds5

About cis-ethyl (1R,2S)-2-(benzylamino)cyclopentane-1-carboxylate

cis-ethyl (1R,2S)-2-(benzylamino)cyclopentane-1-carboxylate (PubChem CID 10014866) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is cis-ethyl (1R,2S)-2-(benzylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2S)-2-(benzylamino)cyclopentane-1-carboxylate
PubChem CID10014866
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namecis-ethyl (1R,2S)-2-(benzylamino)cyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccccc1
InChIInChI=1S/C15H21NO2/c1-2-18-15(17)13-9-6-10-14(13)16-11-12-7-4-3-5-8-12/h3-5,7-8,13-14,16H,2,6,9-11H2,1H3/t13-,14+/m1/s1
InChIKeyMQQOIBAPZYNAPG-KGLIPLIRSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2S)-2-(benzylamino)cyclopentane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2S)-2-(benzylamino)cyclopentane-1-carboxylate (CID 10014866) is cis-ethyl (1R,2S)-2-(benzylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2S)-2-(benzylamino)cyclopentane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2S)-2-(benzylamino)cyclopentane-1-carboxylate is CCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccccc1.
What is the InChIKey of cis-ethyl (1R,2S)-2-(benzylamino)cyclopentane-1-carboxylate?
The InChIKey is MQQOIBAPZYNAPG-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-18-15(17)13-9-6-10-14(13)16-11-12-7-4-3-5-8-12/h3-5,7-8,13-14,16H,2,6,9-11H2,1H3/t13-,14+/m1/s1.
What are the key properties of cis-ethyl (1R,2S)-2-(benzylamino)cyclopentane-1-carboxylate?
cis-ethyl (1R,2S)-2-(benzylamino)cyclopentane-1-carboxylate has a molecular weight of 247.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2S)-2-(benzylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 10014866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).