tert-butyl 5-(dimethylcarbamoyl)-2,2-dimethyl-4-[(2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidine-3-carboxylate

C18H31N3O5 — CID 166836825

IUPACtert-butyl 5-(dimethylcarbamoyl)-2,2-dimethyl-4-[(2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidine-3-carboxylate
SMILESCN(C)C(=O)C1OC(C)(C)N(C(=O)OC(C)(C)C)C1CC1CCNC1=O
InChIInChI=1S/C18H31N3O5/c1-17(2,3)26-16(24)21-12(10-11-8-9-19-14(11)22)13(15(23)20(6)7)25-18(21,4)5/h11-13H,8-10H2,1-7H3,(H,19,22)
InChIKeyHZCGCGAUFKWFNG-UHFFFAOYSA-N
MW369.46 g/mol
LogP1.34
Rot. Bonds3

About tert-butyl 5-(dimethylcarbamoyl)-2,2-dimethyl-4-[(2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidine-3-carboxylate

tert-butyl 5-(dimethylcarbamoyl)-2,2-dimethyl-4-[(2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 166836825) has the molecular formula C18H31N3O5 and a molecular weight of 369.46 g/mol. Its IUPAC name is tert-butyl 5-(dimethylcarbamoyl)-2,2-dimethyl-4-[(2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(dimethylcarbamoyl)-2,2-dimethyl-4-[(2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidine-3-carboxylate
PubChem CID166836825
Molecular FormulaC18H31N3O5
Molecular Weight369.46 g/mol
Exact Mass369.23
IUPAC Nametert-butyl 5-(dimethylcarbamoyl)-2,2-dimethyl-4-[(2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidine-3-carboxylate
SMILESCN(C)C(=O)C1OC(C)(C)N(C(=O)OC(C)(C)C)C1CC1CCNC1=O
InChIInChI=1S/C18H31N3O5/c1-17(2,3)26-16(24)21-12(10-11-8-9-19-14(11)22)13(15(23)20(6)7)25-18(21,4)5/h11-13H,8-10H2,1-7H3,(H,19,22)
InChIKeyHZCGCGAUFKWFNG-UHFFFAOYSA-N
XLogP1.34
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 5-(dimethylcarbamoyl)-2,2-dimethyl-4-[(2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

tert-butyl (4S)-2-methoxy-3-oxo-4-[(2-oxopyrrolidin-3-yl)methyl]diazetidine-1-carboxylate
CID 130394429
tert-butyl N-[(2-oxopyrrolidin-3-yl)methyl]carbamate
CID 105467597
tert-butyl (4S,5S)-4-(cyclohexylmethyl)-5-(iodomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14424783
3-O-tert-butyl 5-O-methyl (4R,5S)-4-benzyl-2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate
CID 70239636
3-O-tert-butyl 5-O-methyl (4S,5R)-4-benzyl-2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate
CID 11121633
tert-butyl (4S,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-propan-2-yl-1,3-oxazolidine-3-carboxylate
CID 70020533
tert-butyl N-amino-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate
CID 162739122
tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14552357
(4R,5S)-4-(azidomethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-5-carboxylic acid
CID 86677501
tert-butyl (4S,5S)-4-(iodomethyl)-5-(methoxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 140879292
tert-butyl 4-[2-[(3R)-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate
CID 10335583
tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-[(2S)-4,4-dimethyl-5-oxooxolan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14654502

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(dimethylcarbamoyl)-2,2-dimethyl-4-[(2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 5-(dimethylcarbamoyl)-2,2-dimethyl-4-[(2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidine-3-carboxylate (CID 166836825) is tert-butyl 5-(dimethylcarbamoyl)-2,2-dimethyl-4-[(2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 5-(dimethylcarbamoyl)-2,2-dimethyl-4-[(2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 5-(dimethylcarbamoyl)-2,2-dimethyl-4-[(2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidine-3-carboxylate is CN(C)C(=O)C1OC(C)(C)N(C(=O)OC(C)(C)C)C1CC1CCNC1=O.
What is the InChIKey of tert-butyl 5-(dimethylcarbamoyl)-2,2-dimethyl-4-[(2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is HZCGCGAUFKWFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O5/c1-17(2,3)26-16(24)21-12(10-11-8-9-19-14(11)22)13(15(23)20(6)7)25-18(21,4)5/h11-13H,8-10H2,1-7H3,(H,19,22).
What are the key properties of tert-butyl 5-(dimethylcarbamoyl)-2,2-dimethyl-4-[(2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidine-3-carboxylate?
tert-butyl 5-(dimethylcarbamoyl)-2,2-dimethyl-4-[(2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 369.46 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(dimethylcarbamoyl)-2,2-dimethyl-4-[(2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 166836825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).