(2S,5R)-5-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]oxolane-2-carboxamide

C14H17F3N2O3 — CID 120785310

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)Nc2ccccc2OCC(F)(F)F)O1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)8-21-11-4-2-1-3-10(11)19-13(20)12-6-5-9(7-18)22-12/h1-4,9,12H,5-8,18H2,(H,19,20)/t9-,12+/m1/s1
InChIKeyNITLQOCGRMVREF-SKDRFNHKSA-N
MW318.30 g/mol
LogP2.07
Rot. Bonds5

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

(2S,5R)-5-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]oxolane-2-carboxamide (PubChem CID 120785310) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]oxolane-2-carboxamide
PubChem CID120785310
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)Nc2ccccc2OCC(F)(F)F)O1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)8-21-11-4-2-1-3-10(11)19-13(20)12-6-5-9(7-18)22-12/h1-4,9,12H,5-8,18H2,(H,19,20)/t9-,12+/m1/s1
InChIKeyNITLQOCGRMVREF-SKDRFNHKSA-N
XLogP2.07
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(2-propoxyphenyl)oxolane-2-carboxamide
CID 120783910
(2S,5R)-5-(aminomethyl)-N-[2-(oxan-2-ylmethoxy)phenyl]oxolane-2-carboxamide
CID 120789636
(2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide
CID 120801756
(2S,5R)-5-(aminomethyl)-N-[2-(2-chlorophenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120784929
(2S,5R)-5-(aminomethyl)-N-[2-(3,5-difluorophenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120796585
(2S,5R)-5-(aminomethyl)-N-[2-(oxolan-3-yloxy)phenyl]oxolane-2-carboxamide
CID 120795372
(2S,5R)-5-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide
CID 120786966
(2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120783599
(2S,5R)-5-(aminomethyl)-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120795597
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
(2S,5R)-5-(aminomethyl)-N-[2-(dimethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 120787008
(2S,5R)-5-(aminomethyl)-N-[2-[(4-tert-butylbenzoyl)amino]phenyl]oxolane-2-carboxamide;hydrochloride
CID 120786305

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]oxolane-2-carboxamide (CID 120785310) is (2S,5R)-5-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)Nc2ccccc2OCC(F)(F)F)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]oxolane-2-carboxamide?
The InChIKey is NITLQOCGRMVREF-SKDRFNHKSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c15-14(16,17)8-21-11-4-2-1-3-10(11)19-13(20)12-6-5-9(7-18)22-12/h1-4,9,12H,5-8,18H2,(H,19,20)/t9-,12+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]oxolane-2-carboxamide has a molecular weight of 318.30 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 120785310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).