benzyl (3S)-2-oxo-5-[(4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate

C22H29NO5 — CID 16665734

IUPACbenzyl (3S)-2-oxo-5-[(4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate
SMILESCC(C)[C@@H]1CC(C2C[C@@H](C(C)C)C(=O)N2C(=O)OCc2ccccc2)OC1=O
InChIInChI=1S/C22H29NO5/c1-13(2)16-10-18(19-11-17(14(3)4)21(25)28-19)23(20(16)24)22(26)27-12-15-8-6-5-7-9-15/h5-9,13-14,16-19H,10-12H2,1-4H3/t16-,17-,18?,19?/m0/s1
InChIKeyGLLDQEIBKIQNHB-YXWAVELNSA-N
MW387.48 g/mol
LogP3.78
Rot. Bonds5

About benzyl (3S)-2-oxo-5-[(4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate

benzyl (3S)-2-oxo-5-[(4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate (PubChem CID 16665734) has the molecular formula C22H29NO5 and a molecular weight of 387.48 g/mol. Its IUPAC name is benzyl (3S)-2-oxo-5-[(4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3S)-2-oxo-5-[(4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate
PubChem CID16665734
Molecular FormulaC22H29NO5
Molecular Weight387.48 g/mol
Exact Mass387.20
IUPAC Namebenzyl (3S)-2-oxo-5-[(4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate
SMILESCC(C)[C@@H]1CC(C2C[C@@H](C(C)C)C(=O)N2C(=O)OCc2ccccc2)OC1=O
InChIInChI=1S/C22H29NO5/c1-13(2)16-10-18(19-11-17(14(3)4)21(25)28-19)23(20(16)24)22(26)27-12-15-8-6-5-7-9-15/h5-9,13-14,16-19H,10-12H2,1-4H3/t16-,17-,18?,19?/m0/s1
InChIKeyGLLDQEIBKIQNHB-YXWAVELNSA-N
XLogP3.78
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate
CID 15479399
benzyl (1R,5R)-7-oxo-6-oxa-3-azabicyclo[3.2.0]heptane-3-carboxylate
CID 102264136
(3S)-5-(1-amino-2-phenylmethoxyethyl)-3-propan-2-yloxolan-2-one
CID 145469363
benzyl (1S,5R)-3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate
CID 11859502
benzyl 3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate
CID 2802741
benzyl (1S,5S)-3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate
CID 6928656
benzyl (4S)-2,5-dioxo-4-(1-phenylmethoxyethyl)-1,3-oxazolidine-3-carboxylate
CID 164676169
4-O-benzyl 5-O-tert-butyl (3aR,5S,6aR)-2-oxo-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrole-4,5-dicarboxylate
CID 134842124
benzyl (5S)-3-oxo-5-propan-2-yl-1,2-oxazolidine-2-carboxylate
CID 11288508
benzyl 6-methyl-3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
CID 178029829
benzyl 3-amino-4-propan-2-ylpiperidine-1-carboxylate
CID 83855176
1-O-benzyl 2-O-methyl 3-propan-2-ylpyrrolidine-1,2-dicarboxylate
CID 169193163

Frequently Asked Questions

What is the IUPAC name of benzyl (3S)-2-oxo-5-[(4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate?
The IUPAC name of benzyl (3S)-2-oxo-5-[(4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate (CID 16665734) is benzyl (3S)-2-oxo-5-[(4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (3S)-2-oxo-5-[(4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (3S)-2-oxo-5-[(4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate is CC(C)[C@@H]1CC(C2C[C@@H](C(C)C)C(=O)N2C(=O)OCc2ccccc2)OC1=O.
What is the InChIKey of benzyl (3S)-2-oxo-5-[(4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate?
The InChIKey is GLLDQEIBKIQNHB-YXWAVELNSA-N. The full InChI is InChI=1S/C22H29NO5/c1-13(2)16-10-18(19-11-17(14(3)4)21(25)28-19)23(20(16)24)22(26)27-12-15-8-6-5-7-9-15/h5-9,13-14,16-19H,10-12H2,1-4H3/t16-,17-,18?,19?/m0/s1.
What are the key properties of benzyl (3S)-2-oxo-5-[(4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate?
benzyl (3S)-2-oxo-5-[(4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate has a molecular weight of 387.48 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3S)-2-oxo-5-[(4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate is sourced from PubChem (CID 16665734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).