tert-butyl 2-cyclohexyl-2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]acetate

C25H36N2O4 — CID 166332241

IUPACtert-butyl 2-cyclohexyl-2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]acetate
SMILESCC(c1ccccc1)N1CC(C(=O)NC(C(=O)OC(C)(C)C)C2CCCCC2)CC1=O
InChIInChI=1S/C25H36N2O4/c1-17(18-11-7-5-8-12-18)27-16-20(15-21(27)28)23(29)26-22(19-13-9-6-10-14-19)24(30)31-25(2,3)4/h5,7-8,11-12,17,19-20,22H,6,9-10,13-16H2,1-4H3,(H,26,29)
InChIKeyGSANYKSONFCVCL-UHFFFAOYSA-N
MW428.57 g/mol
LogP4.00
Rot. Bonds6

About tert-butyl 2-cyclohexyl-2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]acetate

tert-butyl 2-cyclohexyl-2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]acetate (PubChem CID 166332241) has the molecular formula C25H36N2O4 and a molecular weight of 428.57 g/mol. Its IUPAC name is tert-butyl 2-cyclohexyl-2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-cyclohexyl-2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]acetate
PubChem CID166332241
Molecular FormulaC25H36N2O4
Molecular Weight428.57 g/mol
Exact Mass428.27
IUPAC Nametert-butyl 2-cyclohexyl-2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]acetate
SMILESCC(c1ccccc1)N1CC(C(=O)NC(C(=O)OC(C)(C)C)C2CCCCC2)CC1=O
InChIInChI=1S/C25H36N2O4/c1-17(18-11-7-5-8-12-18)27-16-20(15-21(27)28)23(29)26-22(19-13-9-6-10-14-19)24(30)31-25(2,3)4/h5,7-8,11-12,17,19-20,22H,6,9-10,13-16H2,1-4H3,(H,26,29)
InChIKeyGSANYKSONFCVCL-UHFFFAOYSA-N
XLogP4.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.57
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-cyclohexyl-2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]acetate with MolForge

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 119521311
tert-butyl N-[(1S)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate
CID 10065360
tert-butyl N-[(1R)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate
CID 10314721
tert-butyl N-[(1S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate
CID 10314722
N-(2-aminoethyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119381978
4-[[(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 124690839
(4R)-4-(cyclobutanecarbonyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 21087447
N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 119585380
N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119585379
1-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 97185382
trans-(1S,2S)-2-[[(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 124858174
(2R)-2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 119367171

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-cyclohexyl-2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]acetate?
The IUPAC name of tert-butyl 2-cyclohexyl-2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]acetate (CID 166332241) is tert-butyl 2-cyclohexyl-2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-cyclohexyl-2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]acetate?
The canonical SMILES for tert-butyl 2-cyclohexyl-2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]acetate is CC(c1ccccc1)N1CC(C(=O)NC(C(=O)OC(C)(C)C)C2CCCCC2)CC1=O.
What is the InChIKey of tert-butyl 2-cyclohexyl-2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]acetate?
The InChIKey is GSANYKSONFCVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O4/c1-17(18-11-7-5-8-12-18)27-16-20(15-21(27)28)23(29)26-22(19-13-9-6-10-14-19)24(30)31-25(2,3)4/h5,7-8,11-12,17,19-20,22H,6,9-10,13-16H2,1-4H3,(H,26,29).
What are the key properties of tert-butyl 2-cyclohexyl-2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]acetate?
tert-butyl 2-cyclohexyl-2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]acetate has a molecular weight of 428.57 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-cyclohexyl-2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]acetate is sourced from PubChem (CID 166332241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).