ditert-butyl 4-amino-4-methyl-5-oxopyrrolidine-1,2-dicarboxylate

C15H26N2O5 — CID 150704119

IUPACditert-butyl 4-amino-4-methyl-5-oxopyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)C1CC(C)(N)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O5/c1-13(2,3)21-10(18)9-8-15(7,16)11(19)17(9)12(20)22-14(4,5)6/h9H,8,16H2,1-7H3
InChIKeyJMMRAHAGOYAWNS-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.58
Rot. Bonds1

About ditert-butyl 4-amino-4-methyl-5-oxopyrrolidine-1,2-dicarboxylate

ditert-butyl 4-amino-4-methyl-5-oxopyrrolidine-1,2-dicarboxylate (PubChem CID 150704119) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is ditert-butyl 4-amino-4-methyl-5-oxopyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl 4-amino-4-methyl-5-oxopyrrolidine-1,2-dicarboxylate
PubChem CID150704119
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Nameditert-butyl 4-amino-4-methyl-5-oxopyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)C1CC(C)(N)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O5/c1-13(2,3)21-10(18)9-8-15(7,16)11(19)17(9)12(20)22-14(4,5)6/h9H,8,16H2,1-7H3
InChIKeyJMMRAHAGOYAWNS-UHFFFAOYSA-N
XLogP1.58
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid
CID 67159799
ditert-butyl (2S)-5-oxo-4,4-bis(4-trimethylsilylbut-3-ynyl)pyrrolidine-1,2-dicarboxylate
CID 11203417
1-O-tert-butyl 2-O,4-O-diethyl (2S,4S)-4-(2-aminoethyl)-5-oxopyrrolidine-1,2,4-tricarboxylate
CID 56602093
1-O-tert-butyl 2-O-methyl (2S)-4,4-bis(but-3-enyl)-5-oxopyrrolidine-1,2-dicarboxylate
CID 11291081
ditert-butyl (2S)-4-methyl-6-oxo-2,3-dihydropyridine-1,2-dicarboxylate
CID 135012871
1-O,4-O-ditert-butyl 2-O-ethyl (2S)-4-(3-chloropropyl)-5-oxopyrrolidine-1,2,4-tricarboxylate
CID 102352512
ditert-butyl (2S,4E)-4-(methoxymethylidene)-5-oxopyrrolidine-1,2-dicarboxylate
CID 11067390
ditert-butyl (2S,4R)-4-formyl-6-oxopiperidine-1,2-dicarboxylate
CID 11727161
ditert-butyl (2S,5R)-5-formyl-6-oxopiperidine-1,2-dicarboxylate
CID 101213409
ditert-butyl (2S,4R)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxopyrrolidine-1,2-dicarboxylate
CID 15516009
2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-1-carboxylic acid
CID 56991730
tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-2-oxopyrrolidine-1-carboxylate
CID 66622874

Frequently Asked Questions

What is the IUPAC name of ditert-butyl 4-amino-4-methyl-5-oxopyrrolidine-1,2-dicarboxylate?
The IUPAC name of ditert-butyl 4-amino-4-methyl-5-oxopyrrolidine-1,2-dicarboxylate (CID 150704119) is ditert-butyl 4-amino-4-methyl-5-oxopyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for ditert-butyl 4-amino-4-methyl-5-oxopyrrolidine-1,2-dicarboxylate?
The canonical SMILES for ditert-butyl 4-amino-4-methyl-5-oxopyrrolidine-1,2-dicarboxylate is CC(C)(C)OC(=O)C1CC(C)(N)C(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl 4-amino-4-methyl-5-oxopyrrolidine-1,2-dicarboxylate?
The InChIKey is JMMRAHAGOYAWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O5/c1-13(2,3)21-10(18)9-8-15(7,16)11(19)17(9)12(20)22-14(4,5)6/h9H,8,16H2,1-7H3.
What are the key properties of ditert-butyl 4-amino-4-methyl-5-oxopyrrolidine-1,2-dicarboxylate?
ditert-butyl 4-amino-4-methyl-5-oxopyrrolidine-1,2-dicarboxylate has a molecular weight of 314.38 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl 4-amino-4-methyl-5-oxopyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 150704119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).