tert-butyl 5-tert-butyl-2-dimethoxyphosphoryl-3-oxopyrrolidine-1-carboxylate

C15H28NO6P — CID 72766947

IUPACtert-butyl 5-tert-butyl-2-dimethoxyphosphoryl-3-oxopyrrolidine-1-carboxylate
SMILESCOP(=O)(OC)C1C(=O)CC(C(C)(C)C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28NO6P/c1-14(2,3)11-9-10(17)12(23(19,20-7)21-8)16(11)13(18)22-15(4,5)6/h11-12H,9H2,1-8H3
InChIKeyPWWLORXDMGQNCB-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.42
Rot. Bonds3

About tert-butyl 5-tert-butyl-2-dimethoxyphosphoryl-3-oxopyrrolidine-1-carboxylate

tert-butyl 5-tert-butyl-2-dimethoxyphosphoryl-3-oxopyrrolidine-1-carboxylate (PubChem CID 72766947) has the molecular formula C15H28NO6P and a molecular weight of 349.36 g/mol. Its IUPAC name is tert-butyl 5-tert-butyl-2-dimethoxyphosphoryl-3-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-tert-butyl-2-dimethoxyphosphoryl-3-oxopyrrolidine-1-carboxylate
PubChem CID72766947
Molecular FormulaC15H28NO6P
Molecular Weight349.36 g/mol
Exact Mass349.17
IUPAC Nametert-butyl 5-tert-butyl-2-dimethoxyphosphoryl-3-oxopyrrolidine-1-carboxylate
SMILESCOP(=O)(OC)C1C(=O)CC(C(C)(C)C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28NO6P/c1-14(2,3)11-9-10(17)12(23(19,20-7)21-8)16(11)13(18)22-15(4,5)6/h11-12H,9H2,1-8H3
InChIKeyPWWLORXDMGQNCB-UHFFFAOYSA-N
XLogP3.42
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-dimethoxyphosphoryl-3-oxo-5-phenylpyrrolidine-1-carboxylate
CID 72962244
tert-butyl (2R,3aS,7aS)-2-dimethoxyphosphoryl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxylate
CID 53473107
tert-butyl (1R,5R)-2,6-dioxo-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 71724109
1-O-tert-butyl 2-O-methyl (5R)-5-methyl-3-oxopyrrolidine-1,2-dicarboxylate
CID 70276073
tert-butyl 2,4-dimethyl-3-oxoazetidine-1-carboxylate
CID 135392142
tert-butyl 3-iodo-2-oxopyrrolidine-1-carboxylate
CID 156755217
tert-butyl 3-methyl-6-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 118940554
tert-butyl 2,4,6,8-tetramethyl-5-oxoazocane-1-carboxylate
CID 123266281
tert-butyl (1S,5S)-3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 86811260
1-O-tert-butyl 2-O-methyl (2S,4S,5S)-5-dimethoxyphosphoryl-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate
CID 11646613
tert-butyl 2-tert-butyl-4,4-difluoropyrrolidine-1-carboxylate
CID 58395160
1-O-tert-butyl 2-O-methyl (2S,4S,5R)-5-dimethoxyphosphoryl-4-prop-2-enylpyrrolidine-1,2-dicarboxylate
CID 11552577

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-tert-butyl-2-dimethoxyphosphoryl-3-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 5-tert-butyl-2-dimethoxyphosphoryl-3-oxopyrrolidine-1-carboxylate (CID 72766947) is tert-butyl 5-tert-butyl-2-dimethoxyphosphoryl-3-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-tert-butyl-2-dimethoxyphosphoryl-3-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 5-tert-butyl-2-dimethoxyphosphoryl-3-oxopyrrolidine-1-carboxylate is COP(=O)(OC)C1C(=O)CC(C(C)(C)C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 5-tert-butyl-2-dimethoxyphosphoryl-3-oxopyrrolidine-1-carboxylate?
The InChIKey is PWWLORXDMGQNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28NO6P/c1-14(2,3)11-9-10(17)12(23(19,20-7)21-8)16(11)13(18)22-15(4,5)6/h11-12H,9H2,1-8H3.
What are the key properties of tert-butyl 5-tert-butyl-2-dimethoxyphosphoryl-3-oxopyrrolidine-1-carboxylate?
tert-butyl 5-tert-butyl-2-dimethoxyphosphoryl-3-oxopyrrolidine-1-carboxylate has a molecular weight of 349.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-tert-butyl-2-dimethoxyphosphoryl-3-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 72766947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).