(2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenoxy)propyl]oxolane-2-carboxamide

C15H21FN2O3 — CID 120795026

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenoxy)propyl]oxolane-2-carboxamide
SMILESCC(CNC(=O)[C@@H]1CC[C@H](CN)O1)Oc1cccc(F)c1
InChIInChI=1S/C15H21FN2O3/c1-10(20-12-4-2-3-11(16)7-12)9-18-15(19)14-6-5-13(8-17)21-14/h2-4,7,10,13-14H,5-6,8-9,17H2,1H3,(H,18,19)/t10?,13-,14+/m1/s1
InChIKeyMOTZMKREZAGOPP-ADSMYIAOSA-N
MW296.34 g/mol
LogP1.22
Rot. Bonds6

About (2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenoxy)propyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenoxy)propyl]oxolane-2-carboxamide (PubChem CID 120795026) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenoxy)propyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenoxy)propyl]oxolane-2-carboxamide
PubChem CID120795026
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenoxy)propyl]oxolane-2-carboxamide
SMILESCC(CNC(=O)[C@@H]1CC[C@H](CN)O1)Oc1cccc(F)c1
InChIInChI=1S/C15H21FN2O3/c1-10(20-12-4-2-3-11(16)7-12)9-18-15(19)14-6-5-13(8-17)21-14/h2-4,7,10,13-14H,5-6,8-9,17H2,1H3,(H,18,19)/t10?,13-,14+/m1/s1
InChIKeyMOTZMKREZAGOPP-ADSMYIAOSA-N
XLogP1.22
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[4-(3-fluorophenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120789075
(1R,2S,4R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 98774987
(2S,5R)-5-(aminomethyl)-N-[2-(4-fluorophenyl)propyl]oxolane-2-carboxamide
CID 120789856
3-amino-N-[2-(3-fluorophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119804739
2-[2-(3-fluorophenoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119186702
(2S,5R)-5-(aminomethyl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]oxolane-2-carboxamide;dihydrochloride
CID 120798007
(2S,5R)-5-(aminomethyl)-N-[2-(4-fluorophenyl)-2-methoxyethyl]oxolane-2-carboxamide;hydrochloride
CID 120796193
(2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenyl)propyl]oxolane-2-carboxamide;hydrochloride
CID 120794703
N-[2-(3-fluorophenoxy)propyl]-1-(oxan-4-yl)azetidine-3-carboxamide
CID 154766090
(2S,5R)-5-(aminomethyl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 120788263
(2S,4S)-N-[2-(3-fluorophenoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636246
(2S,5R)-5-(aminomethyl)-N-(2-fluoro-4-propan-2-yloxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120790571

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenoxy)propyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenoxy)propyl]oxolane-2-carboxamide (CID 120795026) is (2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenoxy)propyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenoxy)propyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenoxy)propyl]oxolane-2-carboxamide is CC(CNC(=O)[C@@H]1CC[C@H](CN)O1)Oc1cccc(F)c1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenoxy)propyl]oxolane-2-carboxamide?
The InChIKey is MOTZMKREZAGOPP-ADSMYIAOSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-10(20-12-4-2-3-11(16)7-12)9-18-15(19)14-6-5-13(8-17)21-14/h2-4,7,10,13-14H,5-6,8-9,17H2,1H3,(H,18,19)/t10?,13-,14+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenoxy)propyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenoxy)propyl]oxolane-2-carboxamide has a molecular weight of 296.34 g/mol, XLogP of 1.22, 6 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-(3-fluorophenoxy)propyl]oxolane-2-carboxamide is sourced from PubChem (CID 120795026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).