(2S,5R)-5-(aminomethyl)-N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide;hydrochloride

C15H20ClFN2O2 — CID 120792179

IUPAC(2S,5R)-5-(aminomethyl)-N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)NC2(c3ccc(F)cc3)CC2)O1
InChIInChI=1S/C15H19FN2O2.ClH/c16-11-3-1-10(2-4-11)15(7-8-15)18-14(19)13-6-5-12(9-17)20-13;/h1-4,12-13H,5-9,17H2,(H,18,19);1H/t12-,13+;/m1./s1
InChIKeySXTJOXXHLYRKSW-KZCZEQIWSA-N
MW314.79 g/mol
LogP1.86
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120792179) has the molecular formula C15H20ClFN2O2 and a molecular weight of 314.79 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide;hydrochloride
PubChem CID120792179
Molecular FormulaC15H20ClFN2O2
Molecular Weight314.79 g/mol
Exact Mass314.12
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)NC2(c3ccc(F)cc3)CC2)O1
InChIInChI=1S/C15H19FN2O2.ClH/c16-11-3-1-10(2-4-11)15(7-8-15)18-14(19)13-6-5-12(9-17)20-13;/h1-4,12-13H,5-9,17H2,(H,18,19);1H/t12-,13+;/m1./s1
InChIKeySXTJOXXHLYRKSW-KZCZEQIWSA-N
XLogP1.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(1-phenylcyclopentyl)oxolane-2-carboxamide;hydrochloride
CID 120793343
(2S,5R)-5-(aminomethyl)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120789787
(2S,5R)-5-(aminomethyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]oxolane-2-carboxamide
CID 120785032
(2S,5R)-5-(aminomethyl)-N-[bis(4-fluorophenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120789691
(2S,5R)-5-(aminomethyl)-N-[1-(3-bromophenyl)cyclobutyl]oxolane-2-carboxamide
CID 120789412
(2S,5R)-5-(aminomethyl)-N-(2,4-difluorophenyl)oxolane-2-carboxamide;hydrochloride
CID 120782929
(2S,5R)-5-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120786007
(2S,5R)-5-(aminomethyl)-N-[2-(4-fluorophenyl)propyl]oxolane-2-carboxamide
CID 120789856
(2S,5R)-5-(aminomethyl)-N-(1-benzylcyclobutyl)oxolane-2-carboxamide;hydrochloride
CID 120795417
(2S,5R)-5-(aminomethyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxolane-2-carboxamide;dihydrochloride
CID 120797815
(2S,5R)-5-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]oxolane-2-carboxamide;dihydrochloride
CID 120800829
(2S,5R)-5-(aminomethyl)-N-[2-(4-fluorophenyl)-2-methoxyethyl]oxolane-2-carboxamide;hydrochloride
CID 120796193

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide;hydrochloride (CID 120792179) is (2S,5R)-5-(aminomethyl)-N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide;hydrochloride is Cl.NC[C@H]1CC[C@@H](C(=O)NC2(c3ccc(F)cc3)CC2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is SXTJOXXHLYRKSW-KZCZEQIWSA-N. The full InChI is InChI=1S/C15H19FN2O2.ClH/c16-11-3-1-10(2-4-11)15(7-8-15)18-14(19)13-6-5-12(9-17)20-13;/h1-4,12-13H,5-9,17H2,(H,18,19);1H/t12-,13+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 314.79 g/mol, XLogP of 1.86, 4 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-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120792179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).