benzyl N-benzyl-N-[(3R,4R)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate

C32H37N3O3 — CID 11375682

IUPACbenzyl N-benzyl-N-[(3R,4R)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate
SMILESC[C@@H]1CC[C@@H](C)N1N1C(=O)[C@H](N(Cc2ccccc2)C(=O)OCc2ccccc2)[C@H]1CCc1ccccc1
InChIInChI=1S/C32H37N3O3/c1-24-18-19-25(2)34(24)35-29(21-20-26-12-6-3-7-13-26)30(31(35)36)33(22-27-14-8-4-9-15-27)32(37)38-23-28-16-10-5-11-17-28/h3-17,24-25,29-30H,18-23H2,1-2H3/t24-,25-,29-,30-/m1/s1
InChIKeyVBOZVCOLZDEQEW-XSLCZBKOSA-N
MW511.67 g/mol
LogP5.83
Rot. Bonds9

About benzyl N-benzyl-N-[(3R,4R)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate

benzyl N-benzyl-N-[(3R,4R)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate (PubChem CID 11375682) has the molecular formula C32H37N3O3 and a molecular weight of 511.67 g/mol. Its IUPAC name is benzyl N-benzyl-N-[(3R,4R)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-benzyl-N-[(3R,4R)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate
PubChem CID11375682
Molecular FormulaC32H37N3O3
Molecular Weight511.67 g/mol
Exact Mass511.28
IUPAC Namebenzyl N-benzyl-N-[(3R,4R)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate
SMILESC[C@@H]1CC[C@@H](C)N1N1C(=O)[C@H](N(Cc2ccccc2)C(=O)OCc2ccccc2)[C@H]1CCc1ccccc1
InChIInChI=1S/C32H37N3O3/c1-24-18-19-25(2)34(24)35-29(21-20-26-12-6-3-7-13-26)30(31(35)36)33(22-27-14-8-4-9-15-27)32(37)38-23-28-16-10-5-11-17-28/h3-17,24-25,29-30H,18-23H2,1-2H3/t24-,25-,29-,30-/m1/s1
InChIKeyVBOZVCOLZDEQEW-XSLCZBKOSA-N
XLogP5.83
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.67
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzyl N-benzyl-N-[(3R,4R)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate with MolForge

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Related Compounds

(S)-benzyl 1-(2-benzyl-2-cyano-1-methylhydrazinyl)-1-oxo-3-phenylpropan-2-ylcarbamate
CID 24898024
benzyl N-[(1S)-2-[methyl-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]amino]-2-oxo-1-phenylethyl]carbamate
CID 44389966
benzyl N-[(1R)-2-[methyl-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]amino]-2-oxo-1-phenylethyl]carbamate
CID 44389976
benzyl N-[(2S)-1-[methyl-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 44389985
benzyl 4,4-dimethyl-3-oxo-2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)pentanoate
CID 44428416
benzyl 2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)acetate
CID 44428418
(S)-benzyl 4-methyl-2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)pentanoate
CID 44428420
benzyl 4,4-dimethyl-3-oxo-2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-phenethylazetidin-1-yl)pentanoate
CID 44428413
benzyl (2R)-2-benzyl-2-[[(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]carbamoyl]azetidine-1-carboxylate
CID 53318761
benzyl (2S)-2-benzyl-2-[[(1S)-2-(benzylamino)-1-methyl-2-oxo-ethyl]carbamoyl]azetidine-1-carboxylate
CID 53321391
benzyl (2R)-2-benzyl-2-[[(1S)-2-(benzylamino)-1-methyl-2-oxo-ethyl]carbamoyl]azetidine-1-carboxylate
CID 53322710
benzyl (2S)-2-benzyl-2-[[(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]carbamoyl]azetidine-1-carboxylate
CID 53324050

Frequently Asked Questions

What is the IUPAC name of benzyl N-benzyl-N-[(3R,4R)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate?
The IUPAC name of benzyl N-benzyl-N-[(3R,4R)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate (CID 11375682) is benzyl N-benzyl-N-[(3R,4R)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-benzyl-N-[(3R,4R)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate?
The canonical SMILES for benzyl N-benzyl-N-[(3R,4R)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate is C[C@@H]1CC[C@@H](C)N1N1C(=O)[C@H](N(Cc2ccccc2)C(=O)OCc2ccccc2)[C@H]1CCc1ccccc1.
What is the InChIKey of benzyl N-benzyl-N-[(3R,4R)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate?
The InChIKey is VBOZVCOLZDEQEW-XSLCZBKOSA-N. The full InChI is InChI=1S/C32H37N3O3/c1-24-18-19-25(2)34(24)35-29(21-20-26-12-6-3-7-13-26)30(31(35)36)33(22-27-14-8-4-9-15-27)32(37)38-23-28-16-10-5-11-17-28/h3-17,24-25,29-30H,18-23H2,1-2H3/t24-,25-,29-,30-/m1/s1.
What are the key properties of benzyl N-benzyl-N-[(3R,4R)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate?
benzyl N-benzyl-N-[(3R,4R)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate has a molecular weight of 511.67 g/mol, XLogP of 5.83, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-benzyl-N-[(3R,4R)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate is sourced from PubChem (CID 11375682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).