(4-amino-3-methyloxolan-3-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone

C12H22N2O3 — CID 66263900

IUPAC(4-amino-3-methyloxolan-3-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)C2(C)COCC2N)C1
InChIInChI=1S/C12H22N2O3/c1-12(8-17-7-10(12)13)11(15)14-4-3-9(5-14)6-16-2/h9-10H,3-8,13H2,1-2H3
InChIKeyBZSGYMBSTCTSCT-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.15
Rot. Bonds3

About (4-amino-3-methyloxolan-3-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone

(4-amino-3-methyloxolan-3-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 66263900) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (4-amino-3-methyloxolan-3-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-3-methyloxolan-3-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID66263900
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(4-amino-3-methyloxolan-3-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)C2(C)COCC2N)C1
InChIInChI=1S/C12H22N2O3/c1-12(8-17-7-10(12)13)11(15)14-4-3-9(5-14)6-16-2/h9-10H,3-8,13H2,1-2H3
InChIKeyBZSGYMBSTCTSCT-UHFFFAOYSA-N
XLogP-0.15
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-amino-3-methyloxolan-3-yl)methanone
CID 115559743
(4-amino-3-methyloxolan-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 66248492
(4-amino-3-methyloxolan-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 66264309
(4-amino-3-methyloxolan-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104958611
(4-amino-3-methyloxolan-3-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 66263043
(4-amino-3-methyloxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 66250245
(3-aminooxolan-3-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 64892612
[1-(aminomethyl)-3-methylcyclobutyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 80598306
3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 131747487
1-(4-amino-3-methyloxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 66262627
[3-(methoxymethyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 64598501
1-(4-amino-3-methyloxolane-3-carbonyl)-3-ethylpiperidine-3-carboxylic acid
CID 66262762

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methyloxolan-3-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-amino-3-methyloxolan-3-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 66263900) is (4-amino-3-methyloxolan-3-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-amino-3-methyloxolan-3-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-amino-3-methyloxolan-3-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone is COCC1CCN(C(=O)C2(C)COCC2N)C1.
What is the InChIKey of (4-amino-3-methyloxolan-3-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is BZSGYMBSTCTSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(8-17-7-10(12)13)11(15)14-4-3-9(5-14)6-16-2/h9-10H,3-8,13H2,1-2H3.
What are the key properties of (4-amino-3-methyloxolan-3-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
(4-amino-3-methyloxolan-3-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 242.32 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methyloxolan-3-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 66263900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).