benzyl (3S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylate

C17H22N2O3 — CID 67755202

IUPACbenzyl (3S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylate
SMILESO=C(OCc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CCCN2)C1
InChIInChI=1S/C17H22N2O3/c20-16(15-7-4-9-18-15)19-10-8-14(11-19)17(21)22-12-13-5-2-1-3-6-13/h1-3,5-6,14-15,18H,4,7-12H2/t14-,15-/m0/s1
InChIKeyYMRJZQDNFDQKPI-GJZGRUSLSA-N
MW302.37 g/mol
LogP1.33
Rot. Bonds4

About benzyl (3S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylate

benzyl (3S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylate (PubChem CID 67755202) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is benzyl (3S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl (3S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylate
PubChem CID67755202
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Namebenzyl (3S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylate
SMILESO=C(OCc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CCCN2)C1
InChIInChI=1S/C17H22N2O3/c20-16(15-7-4-9-18-15)19-10-8-14(11-19)17(21)22-12-13-5-2-1-3-6-13/h1-3,5-6,14-15,18H,4,7-12H2/t14-,15-/m0/s1
InChIKeyYMRJZQDNFDQKPI-GJZGRUSLSA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl (3S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-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

[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119336604
[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
CID 119336588
benzyl (3S)-1-acetylpyrrolidine-3-carboxylate
CID 157025963
[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119336587
benzyl formate;pyrrolidin-1-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 174487902
(3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119290280
benzyl 1-(2-oxo-3-phenylpropanoyl)pyrrolidine-3-carboxylate
CID 176728132
1-(pyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 10081902
1-(azepane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 64568956
(3-benzylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119320187
2-aminopropanoic acid;benzyl pyrrolidine-2-carboxylate
CID 19802280
benzyl 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylate
CID 66773233

Frequently Asked Questions

What is the IUPAC name of benzyl (3S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylate?
The IUPAC name of benzyl (3S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylate (CID 67755202) is benzyl (3S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for benzyl (3S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylate?
The canonical SMILES for benzyl (3S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylate is O=C(OCc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CCCN2)C1.
What is the InChIKey of benzyl (3S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylate?
The InChIKey is YMRJZQDNFDQKPI-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-16(15-7-4-9-18-15)19-10-8-14(11-19)17(21)22-12-13-5-2-1-3-6-13/h1-3,5-6,14-15,18H,4,7-12H2/t14-,15-/m0/s1.
What are the key properties of benzyl (3S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylate?
benzyl (3S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylate has a molecular weight of 302.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 67755202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).