(2S,5R)-5-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]oxolane-2-carboxamide

C14H19FN2O2 — CID 120784268

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NCCc2ccccc2F)O1
InChIInChI=1S/C14H19FN2O2/c15-12-4-2-1-3-10(12)7-8-17-14(18)13-6-5-11(9-16)19-13/h1-4,11,13H,5-9,16H2,(H,17,18)/t11-,13+/m1/s1
InChIKeyHOFCDSJMWSKHAA-YPMHNXCESA-N
MW266.32 g/mol
LogP0.99
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]oxolane-2-carboxamide (PubChem CID 120784268) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]oxolane-2-carboxamide
PubChem CID120784268
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NCCc2ccccc2F)O1
InChIInChI=1S/C14H19FN2O2/c15-12-4-2-1-3-10(12)7-8-17-14(18)13-6-5-11(9-16)19-13/h1-4,11,13H,5-9,16H2,(H,17,18)/t11-,13+/m1/s1
InChIKeyHOFCDSJMWSKHAA-YPMHNXCESA-N
XLogP0.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[2-(2,6-difluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120787343
(2S,5R)-5-(aminomethyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]oxolane-2-carboxamide
CID 120784458
(2S,5R)-5-(aminomethyl)-N-[2-(5-bromo-2-fluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120789465
(2S,5R)-5-(aminomethyl)-N-[2-(2,3-dichlorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120788603
(2S,5R)-5-(aminomethyl)-N-[2-(3,5-difluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120790695
(2S,5R)-5-(aminomethyl)-N-[4-[(2-fluorophenyl)methoxy]phenyl]oxolane-2-carboxamide;hydrochloride
CID 120791011
(2S,5R)-5-(aminomethyl)-N-[(2-bromophenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120785931
(2S,5R)-5-(aminomethyl)-N-(naphthalen-1-ylmethyl)oxolane-2-carboxamide;hydrochloride
CID 120786169
(2S,5R)-5-(aminomethyl)-N-[2-(3,5-dimethylphenyl)ethyl]oxolane-2-carboxamide
CID 120794626
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132
(2S,5R)-5-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120786007
(2S,5R)-5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]oxolane-2-carboxamide
CID 120783134

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]oxolane-2-carboxamide (CID 120784268) is (2S,5R)-5-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)NCCc2ccccc2F)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]oxolane-2-carboxamide?
The InChIKey is HOFCDSJMWSKHAA-YPMHNXCESA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-12-4-2-1-3-10(12)7-8-17-14(18)13-6-5-11(9-16)19-13/h1-4,11,13H,5-9,16H2,(H,17,18)/t11-,13+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]oxolane-2-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 120784268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).