tert-butyl N-[2-methyl-2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]propyl]carbamate

C17H31N3O4 — CID 95285902

IUPACtert-butyl N-[2-methyl-2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]propyl]carbamate
SMILESCC(C)N1C[C@H](C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C17H31N3O4/c1-11(2)20-9-12(8-13(20)21)14(22)19-17(6,7)10-18-15(23)24-16(3,4)5/h11-12H,8-10H2,1-7H3,(H,18,23)(H,19,22)/t12-/m1/s1
InChIKeyZAYGEXKXHCNZED-GFCCVEGCSA-N
MW341.45 g/mol
LogP1.66
Rot. Bonds5

About tert-butyl N-[2-methyl-2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]propyl]carbamate

tert-butyl N-[2-methyl-2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]propyl]carbamate (PubChem CID 95285902) has the molecular formula C17H31N3O4 and a molecular weight of 341.45 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]propyl]carbamate
PubChem CID95285902
Molecular FormulaC17H31N3O4
Molecular Weight341.45 g/mol
Exact Mass341.23
IUPAC Nametert-butyl N-[2-methyl-2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]propyl]carbamate
SMILESCC(C)N1C[C@H](C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C17H31N3O4/c1-11(2)20-9-12(8-13(20)21)14(22)19-17(6,7)10-18-15(23)24-16(3,4)5/h11-12H,8-10H2,1-7H3,(H,18,23)(H,19,22)/t12-/m1/s1
InChIKeyZAYGEXKXHCNZED-GFCCVEGCSA-N
XLogP1.66
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-methyl-2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]propyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropyl]carbamate
CID 95317988
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CID 108537211
tert-butyl N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamate
CID 168817443
N-(1-hydroxy-3-methylpentan-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
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2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 43170550
N-(1-amino-2-methylpropan-2-yl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 119522458
tert-butyl N-[3-oxo-3-[[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]methylamino]propyl]carbamate
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N-(5-hydroxypentyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 107318400
N-[2-(3-methylbutanoylamino)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108538490
N-(2-hydroxy-4-methylpentyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 103771609
N-(2-ethylbutyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 113232057
5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethoxy)pyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]propyl]carbamate (CID 95285902) is tert-butyl N-[2-methyl-2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]propyl]carbamate is CC(C)N1C[C@H](C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)CC1=O.
What is the InChIKey of tert-butyl N-[2-methyl-2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]propyl]carbamate?
The InChIKey is ZAYGEXKXHCNZED-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H31N3O4/c1-11(2)20-9-12(8-13(20)21)14(22)19-17(6,7)10-18-15(23)24-16(3,4)5/h11-12H,8-10H2,1-7H3,(H,18,23)(H,19,22)/t12-/m1/s1.
What are the key properties of tert-butyl N-[2-methyl-2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]propyl]carbamate?
tert-butyl N-[2-methyl-2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]propyl]carbamate has a molecular weight of 341.45 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]propyl]carbamate is sourced from PubChem (CID 95285902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).