(2S,5R)-5-(aminomethyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide

C11H17F3N2O2 — CID 120789744

IUPAC(2S,5R)-5-(aminomethyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
SMILESC=CCN(CC(F)(F)F)C(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C11H17F3N2O2/c1-2-5-16(7-11(12,13)14)10(17)9-4-3-8(6-15)18-9/h2,8-9H,1,3-7,15H2/t8-,9+/m1/s1
InChIKeyARIMZQHFZAZIDH-BDAKNGLRSA-N
MW266.26 g/mol
LogP1.07
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide (PubChem CID 120789744) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
PubChem CID120789744
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name(2S,5R)-5-(aminomethyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
SMILESC=CCN(CC(F)(F)F)C(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C11H17F3N2O2/c1-2-5-16(7-11(12,13)14)10(17)9-4-3-8(6-15)18-9/h2,8-9H,1,3-7,15H2/t8-,9+/m1/s1
InChIKeyARIMZQHFZAZIDH-BDAKNGLRSA-N
XLogP1.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide (CID 120789744) is (2S,5R)-5-(aminomethyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide is C=CCN(CC(F)(F)F)C(=O)[C@@H]1CC[C@H](CN)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide?
The InChIKey is ARIMZQHFZAZIDH-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-2-5-16(7-11(12,13)14)10(17)9-4-3-8(6-15)18-9/h2,8-9H,1,3-7,15H2/t8-,9+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide has a molecular weight of 266.26 g/mol, XLogP of 1.07, 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-prop-2-enyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide is sourced from PubChem (CID 120789744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).