(1-acetylpyrrolidin-3-yl)methyl 2,2-dimethyl-3-oxocyclobutane-1-carboxylate

C14H21NO4 — CID 166270235

IUPAC(1-acetylpyrrolidin-3-yl)methyl 2,2-dimethyl-3-oxocyclobutane-1-carboxylate
SMILESCC(=O)N1CCC(COC(=O)C2CC(=O)C2(C)C)C1
InChIInChI=1S/C14H21NO4/c1-9(16)15-5-4-10(7-15)8-19-13(18)11-6-12(17)14(11,2)3/h10-11H,4-8H2,1-3H3
InChIKeyWFSGMBDJBYVCBI-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.01
Rot. Bonds3

About (1-acetylpyrrolidin-3-yl)methyl 2,2-dimethyl-3-oxocyclobutane-1-carboxylate

(1-acetylpyrrolidin-3-yl)methyl 2,2-dimethyl-3-oxocyclobutane-1-carboxylate (PubChem CID 166270235) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is (1-acetylpyrrolidin-3-yl)methyl 2,2-dimethyl-3-oxocyclobutane-1-carboxylate.

Molecular Properties

Compound Name(1-acetylpyrrolidin-3-yl)methyl 2,2-dimethyl-3-oxocyclobutane-1-carboxylate
PubChem CID166270235
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name(1-acetylpyrrolidin-3-yl)methyl 2,2-dimethyl-3-oxocyclobutane-1-carboxylate
SMILESCC(=O)N1CCC(COC(=O)C2CC(=O)C2(C)C)C1
InChIInChI=1S/C14H21NO4/c1-9(16)15-5-4-10(7-15)8-19-13(18)11-6-12(17)14(11,2)3/h10-11H,4-8H2,1-3H3
InChIKeyWFSGMBDJBYVCBI-UHFFFAOYSA-N
XLogP1.01
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-acetylpyrrolidin-3-yl)methyl N-tert-butylcarbamate
CID 142766919
2-[[(3R)-1-acetylpyrrolidin-3-yl]methoxy]acetic acid
CID 96551850
1-[3-(2-chloroethyl)pyrrolidin-1-yl]ethanone
CID 114801099
1-[(3S)-3-(iodomethyl)pyrrolidin-1-yl]ethanone
CID 96555506
1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride
CID 154577426
1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
CID 148686570
1-(3-methoxypyrrolidin-1-yl)ethanone
CID 19039602
1-[4-(propan-2-yloxymethyl)piperidin-1-yl]ethanone
CID 147601847
(1-acetylpiperidin-4-yl)methanesulfonamide
CID 130657862
methyl (1R)-2,2-dimethyl-3-oxocyclopentane-1-carboxylate
CID 14805634
ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone
CID 166152008
tert-butyl N-[(1-acetylpyrrolidin-3-yl)methyl]carbamate
CID 86648179

Frequently Asked Questions

What is the IUPAC name of (1-acetylpyrrolidin-3-yl)methyl 2,2-dimethyl-3-oxocyclobutane-1-carboxylate?
The IUPAC name of (1-acetylpyrrolidin-3-yl)methyl 2,2-dimethyl-3-oxocyclobutane-1-carboxylate (CID 166270235) is (1-acetylpyrrolidin-3-yl)methyl 2,2-dimethyl-3-oxocyclobutane-1-carboxylate.
What is the SMILES notation for (1-acetylpyrrolidin-3-yl)methyl 2,2-dimethyl-3-oxocyclobutane-1-carboxylate?
The canonical SMILES for (1-acetylpyrrolidin-3-yl)methyl 2,2-dimethyl-3-oxocyclobutane-1-carboxylate is CC(=O)N1CCC(COC(=O)C2CC(=O)C2(C)C)C1.
What is the InChIKey of (1-acetylpyrrolidin-3-yl)methyl 2,2-dimethyl-3-oxocyclobutane-1-carboxylate?
The InChIKey is WFSGMBDJBYVCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9(16)15-5-4-10(7-15)8-19-13(18)11-6-12(17)14(11,2)3/h10-11H,4-8H2,1-3H3.
What are the key properties of (1-acetylpyrrolidin-3-yl)methyl 2,2-dimethyl-3-oxocyclobutane-1-carboxylate?
(1-acetylpyrrolidin-3-yl)methyl 2,2-dimethyl-3-oxocyclobutane-1-carboxylate has a molecular weight of 267.32 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetylpyrrolidin-3-yl)methyl 2,2-dimethyl-3-oxocyclobutane-1-carboxylate is sourced from PubChem (CID 166270235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).