(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

C14H24N2O3 — CID 103356035

IUPAC(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)C2(N)C3CCOC3C2(C)C)C1
InChIInChI=1S/C14H24N2O3/c1-12(2)10-9(4-7-19-10)14(12,15)11(17)16-6-5-13(3,18)8-16/h9-10,18H,4-8,15H2,1-3H3
InChIKeyONJQHWATRMVUSR-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.11
Rot. Bonds1

About (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (PubChem CID 103356035) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
PubChem CID103356035
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)C2(N)C3CCOC3C2(C)C)C1
InChIInChI=1S/C14H24N2O3/c1-12(2)10-9(4-7-19-10)14(12,15)11(17)16-6-5-13(3,18)8-16/h9-10,18H,4-8,15H2,1-3H3
InChIKeyONJQHWATRMVUSR-UHFFFAOYSA-N
XLogP0.11
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 114945996
(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)-(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)-pyrrolidin-1-ylmethanone
CID 114945001
4-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)piperazine-2,6-dione
CID 114946291
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114947024
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 114945905
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-ethylpyrrolidin-1-yl)methanone
CID 114946599
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)-(2-methylthiomorpholin-4-yl)methanone
CID 114946793
1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 114946149
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 114945932

Frequently Asked Questions

What is the IUPAC name of (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (CID 103356035) is (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is CC1(O)CCN(C(=O)C2(N)C3CCOC3C2(C)C)C1.
What is the InChIKey of (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The InChIKey is ONJQHWATRMVUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-12(2)10-9(4-7-19-10)14(12,15)11(17)16-6-5-13(3,18)8-16/h9-10,18H,4-8,15H2,1-3H3.
What are the key properties of (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone has a molecular weight of 268.36 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 103356035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).