tert-butyl 5,5-diphenyl-1-[2-[(3-phenylmethoxycarbonylphenyl)carbamoylamino]acetyl]pyrrolidine-2-carboxylate

C38H39N3O6 — CID 57206319

IUPACtert-butyl 5,5-diphenyl-1-[2-[(3-phenylmethoxycarbonylphenyl)carbamoylamino]acetyl]pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1CCC(c2ccccc2)(c2ccccc2)N1C(=O)CNC(=O)Nc1cccc(C(=O)OCc2ccccc2)c1
InChIInChI=1S/C38H39N3O6/c1-37(2,3)47-35(44)32-22-23-38(29-17-9-5-10-18-29,30-19-11-6-12-20-30)41(32)33(42)25-39-36(45)40-31-21-13-16-28(24-31)34(43)46-26-27-14-7-4-8-15-27/h4-21,24,32H,22-23,25-26H2,1-3H3,(H2,39,40,45)
InChIKeyTVNSYZBHYHZYNI-UHFFFAOYSA-N
MW633.75 g/mol
LogP6.44
Rot. Bonds9

About tert-butyl 5,5-diphenyl-1-[2-[(3-phenylmethoxycarbonylphenyl)carbamoylamino]acetyl]pyrrolidine-2-carboxylate

tert-butyl 5,5-diphenyl-1-[2-[(3-phenylmethoxycarbonylphenyl)carbamoylamino]acetyl]pyrrolidine-2-carboxylate (PubChem CID 57206319) has the molecular formula C38H39N3O6 and a molecular weight of 633.75 g/mol. Its IUPAC name is tert-butyl 5,5-diphenyl-1-[2-[(3-phenylmethoxycarbonylphenyl)carbamoylamino]acetyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5,5-diphenyl-1-[2-[(3-phenylmethoxycarbonylphenyl)carbamoylamino]acetyl]pyrrolidine-2-carboxylate
PubChem CID57206319
Molecular FormulaC38H39N3O6
Molecular Weight633.75 g/mol
Exact Mass633.28
IUPAC Nametert-butyl 5,5-diphenyl-1-[2-[(3-phenylmethoxycarbonylphenyl)carbamoylamino]acetyl]pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1CCC(c2ccccc2)(c2ccccc2)N1C(=O)CNC(=O)Nc1cccc(C(=O)OCc2ccccc2)c1
InChIInChI=1S/C38H39N3O6/c1-37(2,3)47-35(44)32-22-23-38(29-17-9-5-10-18-29,30-19-11-6-12-20-30)41(32)33(42)25-39-36(45)40-31-21-13-16-28(24-31)34(43)46-26-27-14-7-4-8-15-27/h4-21,24,32H,22-23,25-26H2,1-3H3,(H2,39,40,45)
InChIKeyTVNSYZBHYHZYNI-UHFFFAOYSA-N
XLogP6.44
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.75
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 5,5-diphenyl-1-[2-[(3-phenylmethoxycarbonylphenyl)carbamoylamino]acetyl]pyrrolidine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (2S,5R)-1-[2-[(3-ethoxycarbonylphenyl)carbamoylamino]acetyl]-5-phenylpyrrolidine-2-carboxylate
CID 57209305
tert-butyl (2S,5R)-1-[2-[(3-methoxycarbonylphenyl)carbamoylamino]acetyl]-5-phenylpyrrolidine-2-carboxylate
CID 56995835
tert-butyl 4-acetyl-1-[2-[(3-methoxycarbonylphenyl)carbamoylamino]acetyl]-5-phenylpyrrolidine-2-carboxylate
CID 86751927
tert-butyl 4-(benzylcarbamoyl)-1-[2-[(3-ethoxycarbonylphenyl)carbamoylamino]acetyl]-5-(2-fluorophenyl)pyrrolidine-2-carboxylate
CID 139692973
tert-butyl (2S,5R)-5-(1H-indol-3-yl)-1-[2-[[3-(2-trimethylsilylethoxycarbonyl)phenyl]carbamoylamino]acetyl]pyrrolidine-2-carboxylate
CID 57112296
tert-butyl 4-(dimethylcarbamoyl)-1-[2-[(3-methoxycarbonylphenyl)carbamoylamino]acetyl]-5-phenylpyrrolidine-2-carboxylate
CID 139692966
2-[3-[[2-[2-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamoylamino]phenyl]acetate
CID 19046180
2-[3-[[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamoylamino]phenyl]acetic acid
CID 19968213
tert-butyl (4R)-2-(5-methylthiophen-2-yl)-3-[2-[[3-(2-trimethylsilylethoxycarbonyl)phenyl]carbamoylamino]acetyl]-1,3-thiazolidine-4-carboxylate
CID 139824366
2-[3-[[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamoylamino]phenyl]acetate
CID 19968212
benzyl 3-[[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylethyl)carbamoyl]amino]benzoate
CID 22411339
2-O-tert-butyl 4-O-methyl 1-[2-[(3-methylphenyl)carbamoylamino]acetyl]-5-phenylpyrrolidine-2,4-dicarboxylate
CID 86751903

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5,5-diphenyl-1-[2-[(3-phenylmethoxycarbonylphenyl)carbamoylamino]acetyl]pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl 5,5-diphenyl-1-[2-[(3-phenylmethoxycarbonylphenyl)carbamoylamino]acetyl]pyrrolidine-2-carboxylate (CID 57206319) is tert-butyl 5,5-diphenyl-1-[2-[(3-phenylmethoxycarbonylphenyl)carbamoylamino]acetyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl 5,5-diphenyl-1-[2-[(3-phenylmethoxycarbonylphenyl)carbamoylamino]acetyl]pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl 5,5-diphenyl-1-[2-[(3-phenylmethoxycarbonylphenyl)carbamoylamino]acetyl]pyrrolidine-2-carboxylate is CC(C)(C)OC(=O)C1CCC(c2ccccc2)(c2ccccc2)N1C(=O)CNC(=O)Nc1cccc(C(=O)OCc2ccccc2)c1.
What is the InChIKey of tert-butyl 5,5-diphenyl-1-[2-[(3-phenylmethoxycarbonylphenyl)carbamoylamino]acetyl]pyrrolidine-2-carboxylate?
The InChIKey is TVNSYZBHYHZYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H39N3O6/c1-37(2,3)47-35(44)32-22-23-38(29-17-9-5-10-18-29,30-19-11-6-12-20-30)41(32)33(42)25-39-36(45)40-31-21-13-16-28(24-31)34(43)46-26-27-14-7-4-8-15-27/h4-21,24,32H,22-23,25-26H2,1-3H3,(H2,39,40,45).
What are the key properties of tert-butyl 5,5-diphenyl-1-[2-[(3-phenylmethoxycarbonylphenyl)carbamoylamino]acetyl]pyrrolidine-2-carboxylate?
tert-butyl 5,5-diphenyl-1-[2-[(3-phenylmethoxycarbonylphenyl)carbamoylamino]acetyl]pyrrolidine-2-carboxylate has a molecular weight of 633.75 g/mol, XLogP of 6.44, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5,5-diphenyl-1-[2-[(3-phenylmethoxycarbonylphenyl)carbamoylamino]acetyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 57206319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).