3-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)oxetane-3-carboxamide

C11H16N2O3 — CID 115185388

IUPAC3-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)oxetane-3-carboxamide
SMILESCN(Cc1ccc[nH]1)C(=O)C1(CO)COC1
InChIInChI=1S/C11H16N2O3/c1-13(5-9-3-2-4-12-9)10(15)11(6-14)7-16-8-11/h2-4,12,14H,5-8H2,1H3
InChIKeyYCWKCFZOHPFWEG-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.02
Rot. Bonds4

About 3-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)oxetane-3-carboxamide

3-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)oxetane-3-carboxamide (PubChem CID 115185388) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)oxetane-3-carboxamide
PubChem CID115185388
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)oxetane-3-carboxamide
SMILESCN(Cc1ccc[nH]1)C(=O)C1(CO)COC1
InChIInChI=1S/C11H16N2O3/c1-13(5-9-3-2-4-12-9)10(15)11(6-14)7-16-8-11/h2-4,12,14H,5-8H2,1H3
InChIKeyYCWKCFZOHPFWEG-UHFFFAOYSA-N
XLogP-0.02
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(1H-pyrrol-2-ylmethyl)carbamoyl]oxetane-3-carboxylic acid
CID 115185011
N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide
CID 115185381
N-[(2,4-dimethylphenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide
CID 115185386
(1R)-2,2-difluoro-N,1-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxamide
CID 164639298
3-(hydroxymethyl)-N-methyl-N-(2-phenylethyl)oxetane-3-carboxamide
CID 115185456
1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide
CID 115183346
3-[(1H-pyrrol-2-ylmethylamino)methyl]oxetane-3-carboxylic acid
CID 115248431
4-[methyl(1H-pyrrol-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 115165548
2,2-dimethyl-4-[methyl(1H-pyrrol-2-ylmethyl)amino]-4-oxobutanoic acid
CID 115165275
4-(2-hydroxyethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclohexane-1-carboxamide
CID 115151023
3-cyclohexyl-1-methyl-1-(1H-pyrrol-2-ylmethyl)urea
CID 124509076
N-(cyclopentylmethyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide
CID 115185404

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)oxetane-3-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)oxetane-3-carboxamide (CID 115185388) is 3-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)oxetane-3-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)oxetane-3-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)oxetane-3-carboxamide is CN(Cc1ccc[nH]1)C(=O)C1(CO)COC1.
What is the InChIKey of 3-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)oxetane-3-carboxamide?
The InChIKey is YCWKCFZOHPFWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-13(5-9-3-2-4-12-9)10(15)11(6-14)7-16-8-11/h2-4,12,14H,5-8H2,1H3.
What are the key properties of 3-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)oxetane-3-carboxamide?
3-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)oxetane-3-carboxamide has a molecular weight of 224.26 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)oxetane-3-carboxamide is sourced from PubChem (CID 115185388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).