5-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyloxolane-2-carboxamide

C10H20N2O3 — CID 104551738

IUPAC5-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyloxolane-2-carboxamide
SMILESCC(CO)N(C)C(=O)C1CCC(CN)O1
InChIInChI=1S/C10H20N2O3/c1-7(6-13)12(2)10(14)9-4-3-8(5-11)15-9/h7-9,13H,3-6,11H2,1-2H3
InChIKeyHIZPWNPURCNMAS-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.67
Rot. Bonds4

About 5-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyloxolane-2-carboxamide

5-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyloxolane-2-carboxamide (PubChem CID 104551738) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyloxolane-2-carboxamide
PubChem CID104551738
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name5-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyloxolane-2-carboxamide
SMILESCC(CO)N(C)C(=O)C1CCC(CN)O1
InChIInChI=1S/C10H20N2O3/c1-7(6-13)12(2)10(14)9-4-3-8(5-11)15-9/h7-9,13H,3-6,11H2,1-2H3
InChIKeyHIZPWNPURCNMAS-UHFFFAOYSA-N
XLogP-0.67
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-hydroxypropan-2-yl(methyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688926
(2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide
CID 97050721
(2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-propan-2-yloxolane-2-carboxamide
CID 120787762
(2S,5R)-5-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)oxolane-2-carboxamide
CID 120797670
(2S,5R)-5-(aminomethyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyloxolane-2-carboxamide
CID 120801030
(2S,5R)-5-(aminomethyl)-N-cycloheptyl-N-methyloxolane-2-carboxamide
CID 120784974
(2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-(1-cyclopropylethyl)oxolane-2-carboxamide
CID 120787918
(2S,5R)-5-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyloxolane-2-carboxamide;hydrochloride
CID 120784111
N-(1-hydroxypropan-2-yl)-N-methylcyclopropanecarboxamide
CID 115765115
5-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)oxolane-2-carboxamide
CID 112658871
(2S,5R)-5-(aminomethyl)-N-methyl-N-(2-phenylpropyl)oxolane-2-carboxamide;hydrochloride
CID 120791903
(2S,5R)-5-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxolane-2-carboxamide
CID 120787980

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyloxolane-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyloxolane-2-carboxamide (CID 104551738) is 5-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyloxolane-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyloxolane-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyloxolane-2-carboxamide is CC(CO)N(C)C(=O)C1CCC(CN)O1.
What is the InChIKey of 5-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyloxolane-2-carboxamide?
The InChIKey is HIZPWNPURCNMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(6-13)12(2)10(14)9-4-3-8(5-11)15-9/h7-9,13H,3-6,11H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyloxolane-2-carboxamide?
5-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyloxolane-2-carboxamide has a molecular weight of 216.28 g/mol, XLogP of -0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyloxolane-2-carboxamide is sourced from PubChem (CID 104551738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).