benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate

C17H18N2O2 — CID 14814122

IUPACbenzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC[C@H]1c1ccccn1
InChIInChI=1S/C17H18N2O2/c20-17(21-13-14-7-2-1-3-8-14)19-12-6-10-16(19)15-9-4-5-11-18-15/h1-5,7-9,11,16H,6,10,12-13H2/t16-/m0/s1
InChIKeyWWWLTEYQTLVRCC-INIZCTEOSA-N
MW282.34 g/mol
LogP3.56
Rot. Bonds3

About benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate

benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate (PubChem CID 14814122) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate
PubChem CID14814122
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Namebenzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC[C@H]1c1ccccn1
InChIInChI=1S/C17H18N2O2/c20-17(21-13-14-7-2-1-3-8-14)19-12-6-10-16(19)15-9-4-5-11-18-15/h1-5,7-9,11,16H,6,10,12-13H2/t16-/m0/s1
InChIKeyWWWLTEYQTLVRCC-INIZCTEOSA-N
XLogP3.56
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze benzyl (2S)-2-pyridin-2-ylpyrrolidine-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

benzyl 2-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102541489
benzyl 2-(2-anilino-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102540544
benzyl 2-(2-aminophenyl)pyrrolidine-1-carboxylate
CID 175376417
benzyl 2-[4-(hydroxymethyl)pyrimidin-2-yl]pyrrolidine-1-carboxylate
CID 175062089
benzyl 2-(2-piperazin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102541660
5-[(2R)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1H-1,2,4-triazole-3-carboxylic acid
CID 125453058
benzyl (2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 59548510
benzyl 3-pyridin-2-ylazetidine-1-carboxylate
CID 146649299
benzyl 2-(2-cyclohexylsulfanyl-3-pyridinyl)piperidine-1-carboxylate
CID 102542185
benzyl 2-(2-piperazin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102541678
benzyl 2-(3-aminophenyl)pyrrolidine-1-carboxylate
CID 84818132
benzyl (2S)-2-(5-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 129126731

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate (CID 14814122) is benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC[C@H]1c1ccccn1.
What is the InChIKey of benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate?
The InChIKey is WWWLTEYQTLVRCC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-17(21-13-14-7-2-1-3-8-14)19-12-6-10-16(19)15-9-4-5-11-18-15/h1-5,7-9,11,16H,6,10,12-13H2/t16-/m0/s1.
What are the key properties of benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate?
benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate is sourced from PubChem (CID 14814122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).