tert-butyl N-[(4S)-4-[[(1S)-1-cyclopropylethyl]carbamoyl]-2-oxopyrrolidin-1-yl]carbamate

C15H25N3O4 — CID 95636312

IUPACtert-butyl N-[(4S)-4-[[(1S)-1-cyclopropylethyl]carbamoyl]-2-oxopyrrolidin-1-yl]carbamate
SMILESC[C@H](NC(=O)[C@H]1CC(=O)N(NC(=O)OC(C)(C)C)C1)C1CC1
InChIInChI=1S/C15H25N3O4/c1-9(10-5-6-10)16-13(20)11-7-12(19)18(8-11)17-14(21)22-15(2,3)4/h9-11H,5-8H2,1-4H3,(H,16,20)(H,17,21)/t9-,11-/m0/s1
InChIKeyRMIKIODEKAPCFM-ONGXEEELSA-N
MW311.38 g/mol
LogP1.19
Rot. Bonds4

About tert-butyl N-[(4S)-4-[[(1S)-1-cyclopropylethyl]carbamoyl]-2-oxopyrrolidin-1-yl]carbamate

tert-butyl N-[(4S)-4-[[(1S)-1-cyclopropylethyl]carbamoyl]-2-oxopyrrolidin-1-yl]carbamate (PubChem CID 95636312) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is tert-butyl N-[(4S)-4-[[(1S)-1-cyclopropylethyl]carbamoyl]-2-oxopyrrolidin-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4S)-4-[[(1S)-1-cyclopropylethyl]carbamoyl]-2-oxopyrrolidin-1-yl]carbamate
PubChem CID95636312
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Nametert-butyl N-[(4S)-4-[[(1S)-1-cyclopropylethyl]carbamoyl]-2-oxopyrrolidin-1-yl]carbamate
SMILESC[C@H](NC(=O)[C@H]1CC(=O)N(NC(=O)OC(C)(C)C)C1)C1CC1
InChIInChI=1S/C15H25N3O4/c1-9(10-5-6-10)16-13(20)11-7-12(19)18(8-11)17-14(21)22-15(2,3)4/h9-11H,5-8H2,1-4H3,(H,16,20)(H,17,21)/t9-,11-/m0/s1
InChIKeyRMIKIODEKAPCFM-ONGXEEELSA-N
XLogP1.19
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(4S)-4-[[(1S)-1-cyclopropylethyl]carbamoyl]-2-oxopyrrolidin-1-yl]carbamate with MolForge

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Related Compounds

tert-butyl (2S)-3-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoate
CID 80703356
tert-butyl N-[1-(4-aminocyclohexyl)ethyl]carbamate
CID 57465844
(3S)-N-[(1S)-1-cyclopropylethyl]-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30806087
(3S)-N-[(1R)-1-cyclopropylethyl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30838843
tert-butyl N-[2-methyl-2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]propyl]carbamate
CID 95285902
tert-butyl N-[1-(3-oxocyclopentyl)ethyl]carbamate
CID 178200958
tert-butyl N-[3-oxo-3-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethylamino]propyl]carbamate
CID 108537211
tert-butyl N-[(3S)-3-amino-2-oxopyrrolidin-1-yl]carbamate
CID 57152882
tert-butyl N-[[(1S)-1-cyclohexylethyl]carbamoyl]carbamate
CID 142180276
[4-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclohexyl] methanesulfonate
CID 59414569
(2S,3S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 130332365
tert-butyl N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamate
CID 168817443

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4S)-4-[[(1S)-1-cyclopropylethyl]carbamoyl]-2-oxopyrrolidin-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(4S)-4-[[(1S)-1-cyclopropylethyl]carbamoyl]-2-oxopyrrolidin-1-yl]carbamate (CID 95636312) is tert-butyl N-[(4S)-4-[[(1S)-1-cyclopropylethyl]carbamoyl]-2-oxopyrrolidin-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(4S)-4-[[(1S)-1-cyclopropylethyl]carbamoyl]-2-oxopyrrolidin-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(4S)-4-[[(1S)-1-cyclopropylethyl]carbamoyl]-2-oxopyrrolidin-1-yl]carbamate is C[C@H](NC(=O)[C@H]1CC(=O)N(NC(=O)OC(C)(C)C)C1)C1CC1.
What is the InChIKey of tert-butyl N-[(4S)-4-[[(1S)-1-cyclopropylethyl]carbamoyl]-2-oxopyrrolidin-1-yl]carbamate?
The InChIKey is RMIKIODEKAPCFM-ONGXEEELSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-9(10-5-6-10)16-13(20)11-7-12(19)18(8-11)17-14(21)22-15(2,3)4/h9-11H,5-8H2,1-4H3,(H,16,20)(H,17,21)/t9-,11-/m0/s1.
What are the key properties of tert-butyl N-[(4S)-4-[[(1S)-1-cyclopropylethyl]carbamoyl]-2-oxopyrrolidin-1-yl]carbamate?
tert-butyl N-[(4S)-4-[[(1S)-1-cyclopropylethyl]carbamoyl]-2-oxopyrrolidin-1-yl]carbamate has a molecular weight of 311.38 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4S)-4-[[(1S)-1-cyclopropylethyl]carbamoyl]-2-oxopyrrolidin-1-yl]carbamate is sourced from PubChem (CID 95636312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).