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

C17H22N2O3 — CID 688304

IUPACbenzyl (2S)-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-/m0/s1
InChIKeyVJDNUCLKCQKXMM-HNNXBMFYSA-N
MW302.37 g/mol
LogP2.41
Rot. Bonds3

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

benzyl (2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate (PubChem CID 688304) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is benzyl (2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
PubChem CID688304
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Namebenzyl (2S)-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-/m0/s1
InChIKeyVJDNUCLKCQKXMM-HNNXBMFYSA-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

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Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate (CID 688304) is benzyl (2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate is O=C([C@@H]1CCCN1C(=O)OCc1ccccc1)N1CCCC1.
What is the InChIKey of benzyl (2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate?
The InChIKey is VJDNUCLKCQKXMM-HNNXBMFYSA-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-/m0/s1.
What are the key properties of benzyl (2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate?
benzyl (2S)-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 (2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 688304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).