benzyl (2S)-2-[(2S)-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate

C17H21NO4 — CID 71714133

IUPACbenzyl (2S)-2-[(2S)-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate
SMILESC[C@@]1([C@@H]2CCCN2C(=O)OCc2ccccc2)CCC(=O)O1
InChIInChI=1S/C17H21NO4/c1-17(10-9-15(19)22-17)14-8-5-11-18(14)16(20)21-12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3/t14-,17-/m0/s1
InChIKeyICZJKMHAYFSLGK-YOEHRIQHSA-N
MW303.36 g/mol
LogP2.88
Rot. Bonds3

About benzyl (2S)-2-[(2S)-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate

benzyl (2S)-2-[(2S)-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate (PubChem CID 71714133) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is benzyl (2S)-2-[(2S)-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-[(2S)-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate
PubChem CID71714133
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Namebenzyl (2S)-2-[(2S)-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate
SMILESC[C@@]1([C@@H]2CCCN2C(=O)OCc2ccccc2)CCC(=O)O1
InChIInChI=1S/C17H21NO4/c1-17(10-9-15(19)22-17)14-8-5-11-18(14)16(20)21-12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3/t14-,17-/m0/s1
InChIKeyICZJKMHAYFSLGK-YOEHRIQHSA-N
XLogP2.88
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzyl (2S)-2-[(2S)-2-methyl-5-oxooxolan-2-yl]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 1-acetyl-2-benzylpyrrolidine-2-carboxylate
CID 46866293
N-Carbobenzoxy-L-proline-1,2-dibromoethyl ester
CID 21125184
2-Benzyl 1-tert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
CID 8027482
(S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate
CID 688168
(3R,6aS)-3-Allyl-2-oxo-hexahydro-furo[3,2-b]pyrrole-4-carboxylic acid benzyl ester
CID 9972080
(3S,6aS)-3-Allyl-2-oxo-hexahydro-furo[3,2-b]pyrrole-4-carboxylic acid benzyl ester
CID 44351104
Benzyl 1-acetyl-2-(cyclohexylmethyl)pyrrolidine-2-carboxylate
CID 46884563
2-Benzyl 1-methyl 2-benzylpyrrolidine-1,2-dicarboxylate
CID 46884738
benzyl (2R)-1-acetyl-2-benzylpyrrolidine-2-carboxylate
CID 70683687
1-O-benzyl 2-O-methyl (2S,3aS,7aS)-3a-benzoyloxy-6-oxo-2,3,7,7a-tetrahydroindole-1,2-dicarboxylate
CID 5461482
Benzyl 1-acetyl-2-phenethylpyrrolidine-2-carboxylate
CID 46884561
Benzyl 2-benzyl-1-propionylpyrrolidine-2-carboxylate
CID 46884740

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[(2S)-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-[(2S)-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate (CID 71714133) is benzyl (2S)-2-[(2S)-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-[(2S)-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-[(2S)-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate is C[C@@]1([C@@H]2CCCN2C(=O)OCc2ccccc2)CCC(=O)O1.
What is the InChIKey of benzyl (2S)-2-[(2S)-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is ICZJKMHAYFSLGK-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H21NO4/c1-17(10-9-15(19)22-17)14-8-5-11-18(14)16(20)21-12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3/t14-,17-/m0/s1.
What are the key properties of benzyl (2S)-2-[(2S)-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate?
benzyl (2S)-2-[(2S)-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 303.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[(2S)-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 71714133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).