cis-benzyl (1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylate

C21H25NO2 — CID 15251671

IUPACcis-benzyl (1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylate
SMILESC[C@@H](N[C@@H]1CCC[C@@H]1C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO2/c1-16(18-11-6-3-7-12-18)22-20-14-8-13-19(20)21(23)24-15-17-9-4-2-5-10-17/h2-7,9-12,16,19-20,22H,8,13-15H2,1H3/t16-,19+,20-/m1/s1
InChIKeyNACDUSBHYWRDJS-LSTHTHJFSA-N
MW323.44 g/mol
LogP4.25
Rot. Bonds6

About cis-benzyl (1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylate

cis-benzyl (1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylate (PubChem CID 15251671) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is cis-benzyl (1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-benzyl (1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylate
PubChem CID15251671
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Namecis-benzyl (1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylate
SMILESC[C@@H](N[C@@H]1CCC[C@@H]1C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO2/c1-16(18-11-6-3-7-12-18)22-20-14-8-13-19(20)21(23)24-15-17-9-4-2-5-10-17/h2-7,9-12,16,19-20,22H,8,13-15H2,1H3/t16-,19+,20-/m1/s1
InChIKeyNACDUSBHYWRDJS-LSTHTHJFSA-N
XLogP4.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-benzyl (1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(+/-)-threo-Benzylphenidate
CID 52948225
3-{[(Benzyloxy)carbonyl]amino}-3-phenylpropanoic acid
CID 304273
Ethyl 2-methyl-3,5-diphenyl-2,3-dihydro-4-isoxazolecarboxylate
CID 4999266
ethyl (E)-4-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]amino]but-2-enoate
CID 45139563
Benzoic acid, 3-(N-benzyl-N-methylamino)propyl ester, hydrochloride
CID 48919
Ethyl 4-amino-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate
CID 3481945
cis-Ethyl 2-(benzylamino)cyclopentanecarboxylate
CID 10014866
benzyl (2S)-4,4,4-trifluoro-2-[[(1R)-1-phenylethyl]amino]-3-(trifluoromethyl)butanoate;hydrochloride
CID 87593028
benzyl (2S)-2-(4-fluorophenyl)-2-(methylamino)acetate
CID 134970062
Ethyl 3-(octylamino)-3-phenyl-propanoate
CID 16078854
dimethyl 2-[(R)-phenyl(phenylmethoxycarbonylamino)methyl]propanedioate
CID 16759399
(S)-3-(((Benzyloxy)carbonyl)amino)-3-phenylpropanoic acid
CID 1587547

Frequently Asked Questions

What is the IUPAC name of cis-benzyl (1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylate?
The IUPAC name of cis-benzyl (1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylate (CID 15251671) is cis-benzyl (1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylate.
What is the SMILES notation for cis-benzyl (1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylate?
The canonical SMILES for cis-benzyl (1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylate is C[C@@H](N[C@@H]1CCC[C@@H]1C(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of cis-benzyl (1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylate?
The InChIKey is NACDUSBHYWRDJS-LSTHTHJFSA-N. The full InChI is InChI=1S/C21H25NO2/c1-16(18-11-6-3-7-12-18)22-20-14-8-13-19(20)21(23)24-15-17-9-4-2-5-10-17/h2-7,9-12,16,19-20,22H,8,13-15H2,1H3/t16-,19+,20-/m1/s1.
What are the key properties of cis-benzyl (1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylate?
cis-benzyl (1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylate has a molecular weight of 323.44 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-benzyl (1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 15251671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).