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

C19H25F3N2O2 — CID 120792352

IUPAC(2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)O1
InChIInChI=1S/C19H25F3N2O2/c20-19(21,22)16-8-4-1-5-13(16)12-24(14-6-2-3-7-14)18(25)17-10-9-15(11-23)26-17/h1,4-5,8,14-15,17H,2-3,6-7,9-12,23H2/t15-,17+/m1/s1
InChIKeyBVWMKZIMPGCOAE-WBVHZDCISA-N
MW370.42 g/mol
LogP3.48
Rot. Bonds5

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

(2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-2-carboxamide (PubChem CID 120792352) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-2-carboxamide
PubChem CID120792352
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Name(2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)O1
InChIInChI=1S/C19H25F3N2O2/c20-19(21,22)16-8-4-1-5-13(16)12-24(14-6-2-3-7-14)18(25)17-10-9-15(11-23)26-17/h1,4-5,8,14-15,17H,2-3,6-7,9-12,23H2/t15-,17+/m1/s1
InChIKeyBVWMKZIMPGCOAE-WBVHZDCISA-N
XLogP3.48
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyloxolane-2-carboxamide
CID 120792350
(2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120786657
N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119319367
(2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 120796874
(2S,5R)-5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-cyclopropyloxolane-2-carboxamide
CID 120786668
(2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120796873
(2R,5R)-5-[[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]methyl]oxolane-2-carboxamide
CID 97225759
(2S,5R)-5-(aminomethyl)-N-cycloheptyl-N-methyloxolane-2-carboxamide
CID 120784974
2-(2-aminoethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120631197
(2S,5R)-5-(aminomethyl)-N-methyl-N-[(2-nitrophenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120787403
(2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-propan-2-yloxolane-2-carboxamide
CID 120787762
(2S,5R)-5-(aminomethyl)-N-[4-[2-(trifluoromethyl)phenoxy]phenyl]oxolane-2-carboxamide
CID 120790256

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-2-carboxamide (CID 120792352) is (2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-2-carboxamide?
The InChIKey is BVWMKZIMPGCOAE-WBVHZDCISA-N. The full InChI is InChI=1S/C19H25F3N2O2/c20-19(21,22)16-8-4-1-5-13(16)12-24(14-6-2-3-7-14)18(25)17-10-9-15(11-23)26-17/h1,4-5,8,14-15,17H,2-3,6-7,9-12,23H2/t15-,17+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-2-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 120792352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).