3-(hydroxymethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]oxetane-3-carboxamide

C12H22N2O3 — CID 115185449

IUPAC3-(hydroxymethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]oxetane-3-carboxamide
SMILESCN1CCC(CCNC(=O)C2(CO)COC2)C1
InChIInChI=1S/C12H22N2O3/c1-14-5-3-10(6-14)2-4-13-11(16)12(7-15)8-17-9-12/h10,15H,2-9H2,1H3,(H,13,16)
InChIKeyGILRDTQKCKVSSU-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.55
Rot. Bonds5

About 3-(hydroxymethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]oxetane-3-carboxamide

3-(hydroxymethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]oxetane-3-carboxamide (PubChem CID 115185449) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]oxetane-3-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]oxetane-3-carboxamide
PubChem CID115185449
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-(hydroxymethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]oxetane-3-carboxamide
SMILESCN1CCC(CCNC(=O)C2(CO)COC2)C1
InChIInChI=1S/C12H22N2O3/c1-14-5-3-10(6-14)2-4-13-11(16)12(7-15)8-17-9-12/h10,15H,2-9H2,1H3,(H,13,16)
InChIKeyGILRDTQKCKVSSU-UHFFFAOYSA-N
XLogP-0.55
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]oxetane-3-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]oxetane-3-carboxamide (CID 115185449) is 3-(hydroxymethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]oxetane-3-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]oxetane-3-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]oxetane-3-carboxamide is CN1CCC(CCNC(=O)C2(CO)COC2)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]oxetane-3-carboxamide?
The InChIKey is GILRDTQKCKVSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-14-5-3-10(6-14)2-4-13-11(16)12(7-15)8-17-9-12/h10,15H,2-9H2,1H3,(H,13,16).
What are the key properties of 3-(hydroxymethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]oxetane-3-carboxamide?
3-(hydroxymethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]oxetane-3-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]oxetane-3-carboxamide is sourced from PubChem (CID 115185449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).