propan-2-yl (2S)-2-benzyl-5-ethyl-3-oxopyrrolidine-1-carboxylate

C17H23NO3 — CID 59614420

IUPACpropan-2-yl (2S)-2-benzyl-5-ethyl-3-oxopyrrolidine-1-carboxylate
SMILESCCC1CC(=O)[C@H](Cc2ccccc2)N1C(=O)OC(C)C
InChIInChI=1S/C17H23NO3/c1-4-14-11-16(19)15(10-13-8-6-5-7-9-13)18(14)17(20)21-12(2)3/h5-9,12,14-15H,4,10-11H2,1-3H3/t14?,15-/m0/s1
InChIKeyBRMDCNPLEHIHQI-LOACHALJSA-N
MW289.38 g/mol
LogP3.20
Rot. Bonds4

About propan-2-yl (2S)-2-benzyl-5-ethyl-3-oxopyrrolidine-1-carboxylate

propan-2-yl (2S)-2-benzyl-5-ethyl-3-oxopyrrolidine-1-carboxylate (PubChem CID 59614420) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is propan-2-yl (2S)-2-benzyl-5-ethyl-3-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-benzyl-5-ethyl-3-oxopyrrolidine-1-carboxylate
PubChem CID59614420
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Namepropan-2-yl (2S)-2-benzyl-5-ethyl-3-oxopyrrolidine-1-carboxylate
SMILESCCC1CC(=O)[C@H](Cc2ccccc2)N1C(=O)OC(C)C
InChIInChI=1S/C17H23NO3/c1-4-14-11-16(19)15(10-13-8-6-5-7-9-13)18(14)17(20)21-12(2)3/h5-9,12,14-15H,4,10-11H2,1-3H3/t14?,15-/m0/s1
InChIKeyBRMDCNPLEHIHQI-LOACHALJSA-N
XLogP3.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S,5R)-2-benzyl-5-ethyl-3-oxopyrrolidine-1-carboxylate
CID 59614349
dipropan-2-yl 3-benzyldiazetidine-1,2-dicarboxylate
CID 101404579
propan-2-yl (2S,6R)-2-ethyl-4-oxo-6-propylpiperidine-1-carboxylate
CID 143612412
(5-benzyl-2-ethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate
CID 174584805
propan-2-yl 1-benzyl-1H-isoquinoline-2-carboxylate
CID 132569888
propan-2-yl 2-[(2S)-1-benzyl-5-hydroxy-3-oxopiperidin-2-yl]acetate
CID 102390889
propan-2-yl (2S)-4-oxo-1-phenylmethoxyazetidine-2-carboxylate
CID 14988500
1-chloropropan-2-yl 4-benzylpiperidine-1-carboxylate
CID 154187769
propan-2-yl 2-benzyl-4-[[3-chloro-5-(trifluoromethyl)phenyl]methyl-(5-hydroxypyrimidin-2-yl)amino]-6-ethylpiperidine-1-carboxylate
CID 68851071
(4R)-4-ethyl-1-(2-phenylethyl)azetidin-2-one
CID 135071116
benzyl (2R)-2-benzyl-3-oxoazetidine-1-carboxylate
CID 101153820
tert-butyl (2S)-2-benzyl-4-oxoazetidine-1-carboxylate
CID 95898027

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-benzyl-5-ethyl-3-oxopyrrolidine-1-carboxylate?
The IUPAC name of propan-2-yl (2S)-2-benzyl-5-ethyl-3-oxopyrrolidine-1-carboxylate (CID 59614420) is propan-2-yl (2S)-2-benzyl-5-ethyl-3-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for propan-2-yl (2S)-2-benzyl-5-ethyl-3-oxopyrrolidine-1-carboxylate?
The canonical SMILES for propan-2-yl (2S)-2-benzyl-5-ethyl-3-oxopyrrolidine-1-carboxylate is CCC1CC(=O)[C@H](Cc2ccccc2)N1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (2S)-2-benzyl-5-ethyl-3-oxopyrrolidine-1-carboxylate?
The InChIKey is BRMDCNPLEHIHQI-LOACHALJSA-N. The full InChI is InChI=1S/C17H23NO3/c1-4-14-11-16(19)15(10-13-8-6-5-7-9-13)18(14)17(20)21-12(2)3/h5-9,12,14-15H,4,10-11H2,1-3H3/t14?,15-/m0/s1.
What are the key properties of propan-2-yl (2S)-2-benzyl-5-ethyl-3-oxopyrrolidine-1-carboxylate?
propan-2-yl (2S)-2-benzyl-5-ethyl-3-oxopyrrolidine-1-carboxylate has a molecular weight of 289.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-benzyl-5-ethyl-3-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 59614420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).