(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

C15H26N2O3 — CID 114946555

IUPAC(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCC1(C)C2OCCCC2C1(N)C(=O)N1CCC(CO)C1
InChIInChI=1S/C15H26N2O3/c1-14(2)12-11(4-3-7-20-12)15(14,16)13(19)17-6-5-10(8-17)9-18/h10-12,18H,3-9,16H2,1-2H3
InChIKeyNJXLSNNSCJBOKK-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.36
Rot. Bonds2

About (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 114946555) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID114946555
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCC1(C)C2OCCCC2C1(N)C(=O)N1CCC(CO)C1
InChIInChI=1S/C15H26N2O3/c1-14(2)12-11(4-3-7-20-12)15(14,16)13(19)17-6-5-10(8-17)9-18/h10-12,18H,3-9,16H2,1-2H3
InChIKeyNJXLSNNSCJBOKK-UHFFFAOYSA-N
XLogP0.36
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-ethylpyrrolidin-1-yl)methanone
CID 114946599
(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-pyrrolidin-1-ylmethanone
CID 114945001
(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 114946596
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(azocan-1-yl)methanone
CID 114945234
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114947024
1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)piperidine-3-carboxylic acid
CID 114945682
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 114945996
(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(2-ethylpiperidin-1-yl)methanone
CID 114945287
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(2-methylthiomorpholin-4-yl)methanone
CID 114946793
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 114946309
(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-methylthiomorpholin-4-yl)methanone
CID 114946120
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103356035

Frequently Asked Questions

What is the IUPAC name of (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 114946555) is (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is CC1(C)C2OCCCC2C1(N)C(=O)N1CCC(CO)C1.
What is the InChIKey of (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is NJXLSNNSCJBOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-14(2)12-11(4-3-7-20-12)15(14,16)13(19)17-6-5-10(8-17)9-18/h10-12,18H,3-9,16H2,1-2H3.
What are the key properties of (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 282.38 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 114946555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).