tert-butyl 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)acetate

C14H25NO4 — CID 566985

IUPACtert-butyl 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)acetate
SMILESCCC1(CC)C(=O)NCC1(O)CC(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO4/c1-6-13(7-2)11(17)15-9-14(13,18)8-10(16)19-12(3,4)5/h18H,6-9H2,1-5H3,(H,15,17)
InChIKeyBLVLGROZPTYNBP-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.39
Rot. Bonds4

About tert-butyl 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)acetate

tert-butyl 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)acetate (PubChem CID 566985) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)acetate
PubChem CID566985
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)acetate
SMILESCCC1(CC)C(=O)NCC1(O)CC(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO4/c1-6-13(7-2)11(17)15-9-14(13,18)8-10(16)19-12(3,4)5/h18H,6-9H2,1-5H3,(H,15,17)
InChIKeyBLVLGROZPTYNBP-UHFFFAOYSA-N
XLogP1.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4,4-Diethyl-3-hydroxy-5-oxo-pyrrolidin-3-yl)acetic acid, methyl ester
CID 566777
3-(4-Hydroxy-4-methoxycarbonylmethyl-3-methyl-2-oxopyrrolidin-3-yl)propionic acid, methyl ester
CID 613935
Tert-butyl 2-(7-methyl-4-oxo-5-azaspiro[2.4]heptan-7-yl)acetate
CID 123439205
2-(4,4-Diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)propanoate
CID 57375370
2-(4,4-Diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)propanoic acid
CID 57375371
2-(4,4-Diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)-3,3-dimethylbutanoate
CID 57375372
2-(4,4-Diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)-3,3-dimethylbutanoic acid
CID 57375373
Tert-butyl 2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanoate
CID 137942809
tert-butyl 2-[(7S)-7-methyl-4-oxo-5-azaspiro[2.4]heptan-7-yl]acetate
CID 160220838
2-(1-Acetyl-3-hydroxypyrrolidin-3-yl)-2-methylpropanoic acid
CID 165915320

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)acetate?
The IUPAC name of tert-butyl 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)acetate (CID 566985) is tert-butyl 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)acetate.
What is the SMILES notation for tert-butyl 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)acetate?
The canonical SMILES for tert-butyl 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)acetate is CCC1(CC)C(=O)NCC1(O)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)acetate?
The InChIKey is BLVLGROZPTYNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-6-13(7-2)11(17)15-9-14(13,18)8-10(16)19-12(3,4)5/h18H,6-9H2,1-5H3,(H,15,17).
What are the key properties of tert-butyl 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)acetate?
tert-butyl 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)acetate has a molecular weight of 271.36 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)acetate is sourced from PubChem (CID 566985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).