(2S,5R)-5-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide

C15H19F3N2O3 — CID 120786862

IUPAC(2S,5R)-5-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C15H19F3N2O3/c1-20(14(21)13-7-6-12(8-19)22-13)9-10-2-4-11(5-3-10)23-15(16,17)18/h2-5,12-13H,6-9,19H2,1H3/t12-,13+/m1/s1
InChIKeyRPYIFWBQNNELPQ-OLZOCXBDSA-N
MW332.32 g/mol
LogP2.05
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide (PubChem CID 120786862) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide
PubChem CID120786862
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Name(2S,5R)-5-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C15H19F3N2O3/c1-20(14(21)13-7-6-12(8-19)22-13)9-10-2-4-11(5-3-10)23-15(16,17)18/h2-5,12-13H,6-9,19H2,1H3/t12-,13+/m1/s1
InChIKeyRPYIFWBQNNELPQ-OLZOCXBDSA-N
XLogP2.05
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120796619
(2S,5R)-5-(aminomethyl)-N-methyl-N-[(4-methylsulfonylphenyl)methyl]oxolane-2-carboxamide
CID 120794534
(2S,5R)-5-(aminomethyl)-N-[4-(trifluoromethoxy)phenyl]oxolane-2-carboxamide
CID 120782892
4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672619
(2S,5R)-5-(aminomethyl)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyloxolane-2-carboxamide
CID 120789020
(2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-2-carboxamide
CID 120783700
(2S,5R)-5-(aminomethyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-2-carboxamide
CID 120786152
3-amino-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119717344
(2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120786657
N-methyl-1-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroisochromene-3-carboxamide
CID 43057959
1-N,1-N-diethyl-4-N-methyl-4-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 55682821
(2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide
CID 97050721

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide (CID 120786862) is (2S,5R)-5-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide is CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)[C@@H]1CC[C@H](CN)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide?
The InChIKey is RPYIFWBQNNELPQ-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-20(14(21)13-7-6-12(8-19)22-13)9-10-2-4-11(5-3-10)23-15(16,17)18/h2-5,12-13H,6-9,19H2,1H3/t12-,13+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide has a molecular weight of 332.32 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 120786862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).