ethyl (2S)-1-benzhydrylpyrrolidine-2-carboxylate

C20H23NO2 — CID 11771282

IUPACethyl (2S)-1-benzhydrylpyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO2/c1-2-23-20(22)18-14-9-15-21(18)19(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18-19H,2,9,14-15H2,1H3/t18-/m0/s1
InChIKeyPTOGRJNZBKRDKW-SFHVURJKSA-N
MW309.41 g/mol
LogP3.80
Rot. Bonds5

About ethyl (2S)-1-benzhydrylpyrrolidine-2-carboxylate

ethyl (2S)-1-benzhydrylpyrrolidine-2-carboxylate (PubChem CID 11771282) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is ethyl (2S)-1-benzhydrylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-1-benzhydrylpyrrolidine-2-carboxylate
PubChem CID11771282
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Nameethyl (2S)-1-benzhydrylpyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO2/c1-2-23-20(22)18-14-9-15-21(18)19(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18-19H,2,9,14-15H2,1H3/t18-/m0/s1
InChIKeyPTOGRJNZBKRDKW-SFHVURJKSA-N
XLogP3.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl (2S)-1-benzhydrylpyrrolidine-2-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

N-Benzyl-L-proline
CID 728719
Methyl N,N-dibenzyl-L-phenylalaninate
CID 15297227
Ethyl 1-benzylpiperidine-2-carboxylate
CID 2838690
Methyl 2-phenyl-2-(pyrrolidin-1-yl)acetate
CID 22449911
methyl (2S)-2-(dibenzylamino)-3-(4-methylphenyl)propanoate
CID 168274365
Ethyl 1-(4-biphenylylmethyl)-2-piperidinecarboxylate
CID 2838651
Methyl 2-(1-phenylethyl)-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
CID 374576
(S)-Methyl 1-benzyl-5-oxopyrrolidine-2-carboxylate
CID 10998904
1-Piperazineacetic acid, 4-(diphenylmethyl)-, ethyl ester
CID 3045046
Methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
N-Benzyl-L-proline ethyl ester
CID 688177
Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate
CID 286120

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-1-benzhydrylpyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2S)-1-benzhydrylpyrrolidine-2-carboxylate (CID 11771282) is ethyl (2S)-1-benzhydrylpyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2S)-1-benzhydrylpyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2S)-1-benzhydrylpyrrolidine-2-carboxylate is CCOC(=O)[C@@H]1CCCN1C(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (2S)-1-benzhydrylpyrrolidine-2-carboxylate?
The InChIKey is PTOGRJNZBKRDKW-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23NO2/c1-2-23-20(22)18-14-9-15-21(18)19(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18-19H,2,9,14-15H2,1H3/t18-/m0/s1.
What are the key properties of ethyl (2S)-1-benzhydrylpyrrolidine-2-carboxylate?
ethyl (2S)-1-benzhydrylpyrrolidine-2-carboxylate has a molecular weight of 309.41 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-1-benzhydrylpyrrolidine-2-carboxylate is sourced from PubChem (CID 11771282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).