benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate

C17H22N2O3 — CID 667614

IUPACbenzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
SMILESO=C([C@H]1CCCN1C(=O)OCc1ccccc1)N1CCCC1
InChIInChI=1S/C17H22N2O3/c20-16(18-10-4-5-11-18)15-9-6-12-19(15)17(21)22-13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2/t15-/m1/s1
InChIKeyVJDNUCLKCQKXMM-OAHLLOKOSA-N
MW302.37 g/mol
LogP2.41
Rot. Bonds3

About benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate

benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate (PubChem CID 667614) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
PubChem CID667614
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Namebenzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
SMILESO=C([C@H]1CCCN1C(=O)OCc1ccccc1)N1CCCC1
InChIInChI=1S/C17H22N2O3/c20-16(18-10-4-5-11-18)15-9-6-12-19(15)17(21)22-13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2/t15-/m1/s1
InChIKeyVJDNUCLKCQKXMM-OAHLLOKOSA-N
XLogP2.41
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-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-(4-methylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 3556516
benzyl (2R)-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate
CID 93481134
1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]azetidine-2-carboxylic acid
CID 14499798
(2S)-1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carbothioic S-acid
CID 22853357
benzyl (2R)-2-acetylpiperidine-1-carboxylate
CID 89477385
methyl (2S)-1-[(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 118687273
methyl (2S)-1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 12859190
benzyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357682
[amino-(1-phenylmethoxycarbonylpyrrolidin-2-yl)methylidene]azanium chloride
CID 135905283
benzyl (2S)-2-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxylate
CID 10869549
benzyl (4R)-4-(piperidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate
CID 14556727
benzyl (2S)-2-ethynylpyrrolidine-1-carboxylate
CID 101484973

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate (CID 667614) is benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate is O=C([C@H]1CCCN1C(=O)OCc1ccccc1)N1CCCC1.
What is the InChIKey of benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate?
The InChIKey is VJDNUCLKCQKXMM-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-16(18-10-4-5-11-18)15-9-6-12-19(15)17(21)22-13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2/t15-/m1/s1.
What are the key properties of benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate?
benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate has a molecular weight of 302.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 667614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).