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

C15H22ClFN2O3 — CID 120796193

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-(4-fluorophenyl)-2-methoxyethyl]oxolane-2-carboxamide;hydrochloride
SMILESCOC(CNC(=O)[C@@H]1CC[C@@H](O1)CN)C2=CC=C(C=C2)F.Cl
InChIInChI=1S/C15H21FN2O3.ClH/c1-20-14(10-2-4-11(16)5-3-10)9-18-15(19)13-7-6-12(8-17)21-13;/h2-5,12-14H,6-9,17H2,1H3,(H,18,19);1H/t12-,13+,14?;/m1./s1
InChIKeyZIPDLIWFZQANSZ-DAPIJEKWSA-N
MW332.80 g/mol
LogP—
Rot. Bonds6

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

(2S,5R)-5-(aminomethyl)-N-[2-(4-fluorophenyl)-2-methoxyethyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120796193) has the molecular formula C15H22ClFN2O3 and a molecular weight of 332.80 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-(4-fluorophenyl)-2-methoxyethyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-(4-fluorophenyl)-2-methoxyethyl]oxolane-2-carboxamide;hydrochloride
PubChem CID120796193
Molecular FormulaC15H22ClFN2O3
Molecular Weight332.80 g/mol
Exact Mass332.13
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-(4-fluorophenyl)-2-methoxyethyl]oxolane-2-carboxamide;hydrochloride
SMILESCOC(CNC(=O)[C@@H]1CC[C@@H](O1)CN)C2=CC=C(C=C2)F.Cl
InChIInChI=1S/C15H21FN2O3.ClH/c1-20-14(10-2-4-11(16)5-3-10)9-18-15(19)13-7-6-12(8-17)21-13;/h2-5,12-14H,6-9,17H2,1H3,(H,18,19);1H/t12-,13+,14?;/m1./s1
InChIKeyZIPDLIWFZQANSZ-DAPIJEKWSA-N
XLogP—
TPSA73.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity335

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,5R)-5-(aminomethyl)-N-[2-(4-fluorophenyl)-2-methoxyethyl]oxolane-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(Cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] acetate
CID 3230480
[2-(Cyclohexylamino)-1-(3-fluorophenyl)-2-oxoethyl] acetate
CID 3230481
N-cyclooctyl-2-methoxy-2-phenylacetamide
CID 2921709
N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide
CID 2947967
N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 3452814
N-(2,4-dimethylpentan-3-yl)-2-methoxy-2-phenylacetamide
CID 2897080
N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 71193689
N-[[2-(methoxymethyl)phenyl]methyl]oxolane-2-carboxamide
CID 42885956
(2R)-2-methoxy-2-phenyl-N-(tetrahydro-2H-pyran-4-yl)acetamide
CID 50956380
N-(2-ethylphenyl)-4-piperidin-1-yl[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
CID 53150611
N-(4-methoxyphenyl)-4-[5-(morpholin-4-ylcarbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53150645
2-cyclopentyloxy-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide
CID 53564538

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(4-fluorophenyl)-2-methoxyethyl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(4-fluorophenyl)-2-methoxyethyl]oxolane-2-carboxamide;hydrochloride (CID 120796193) is (2S,5R)-5-(aminomethyl)-N-[2-(4-fluorophenyl)-2-methoxyethyl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-(4-fluorophenyl)-2-methoxyethyl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-(4-fluorophenyl)-2-methoxyethyl]oxolane-2-carboxamide;hydrochloride is COC(CNC(=O)[C@@H]1CC[C@@H](O1)CN)C2=CC=C(C=C2)F.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-(4-fluorophenyl)-2-methoxyethyl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is ZIPDLIWFZQANSZ-DAPIJEKWSA-N. The full InChI is InChI=1S/C15H21FN2O3.ClH/c1-20-14(10-2-4-11(16)5-3-10)9-18-15(19)13-7-6-12(8-17)21-13;/h2-5,12-14H,6-9,17H2,1H3,(H,18,19);1H/t12-,13+,14?;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-(4-fluorophenyl)-2-methoxyethyl]oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-[2-(4-fluorophenyl)-2-methoxyethyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 332.80 g/mol, XLogP of not available, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[2-(4-fluorophenyl)-2-methoxyethyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120796193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).