tert-butyl N-[(2R)-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate

C23H36N4O6 — CID 155114582

IUPACtert-butyl N-[(2R)-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate
SMILESC[C@H](COCc1cc(NC(=O)OC(C)(C)C)nc(N2CCCC2=O)c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C23H36N4O6/c1-15(24-20(29)32-22(2,3)4)13-31-14-16-11-17(26-21(30)33-23(5,6)7)25-18(12-16)27-10-8-9-19(27)28/h11-12,15H,8-10,13-14H2,1-7H3,(H,24,29)(H,25,26,30)/t15-/m1/s1
InChIKeyGBDAYRFORTTZLC-OAHLLOKOSA-N
MW464.56 g/mol
LogP3.99
Rot. Bonds7

About tert-butyl N-[(2R)-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate

tert-butyl N-[(2R)-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate (PubChem CID 155114582) has the molecular formula C23H36N4O6 and a molecular weight of 464.56 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate
PubChem CID155114582
Molecular FormulaC23H36N4O6
Molecular Weight464.56 g/mol
Exact Mass464.26
IUPAC Nametert-butyl N-[(2R)-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate
SMILESC[C@H](COCc1cc(NC(=O)OC(C)(C)C)nc(N2CCCC2=O)c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C23H36N4O6/c1-15(24-20(29)32-22(2,3)4)13-31-14-16-11-17(26-21(30)33-23(5,6)7)25-18(12-16)27-10-8-9-19(27)28/h11-12,15H,8-10,13-14H2,1-7H3,(H,24,29)(H,25,26,30)/t15-/m1/s1
InChIKeyGBDAYRFORTTZLC-OAHLLOKOSA-N
XLogP3.99
TPSA119.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[(2R)-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate (CID 155114582) is tert-butyl N-[(2R)-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate is C[C@H](COCc1cc(NC(=O)OC(C)(C)C)nc(N2CCCC2=O)c1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate?
The InChIKey is GBDAYRFORTTZLC-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H36N4O6/c1-15(24-20(29)32-22(2,3)4)13-31-14-16-11-17(26-21(30)33-23(5,6)7)25-18(12-16)27-10-8-9-19(27)28/h11-12,15H,8-10,13-14H2,1-7H3,(H,24,29)(H,25,26,30)/t15-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate has a molecular weight of 464.56 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate is sourced from PubChem (CID 155114582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).