(2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride

C17H24ClFN2O2 — CID 120793443

IUPAC(2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)N(CCc2cccc(F)c2)C2CC2)O1
InChIInChI=1S/C17H23FN2O2.ClH/c18-13-3-1-2-12(10-13)8-9-20(14-4-5-14)17(21)16-7-6-15(11-19)22-16;/h1-3,10,14-16H,4-9,11,19H2;1H/t15-,16+;/m1./s1
InChIKeyDNNMIECTIPEMNQ-RCPFAERMSA-N
MW342.84 g/mol
LogP2.29
Rot. Bonds6

About (2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120793443) has the molecular formula C17H24ClFN2O2 and a molecular weight of 342.84 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride
PubChem CID120793443
Molecular FormulaC17H24ClFN2O2
Molecular Weight342.84 g/mol
Exact Mass342.15
IUPAC Name(2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)N(CCc2cccc(F)c2)C2CC2)O1
InChIInChI=1S/C17H23FN2O2.ClH/c18-13-3-1-2-12(10-13)8-9-20(14-4-5-14)17(21)16-7-6-15(11-19)22-16;/h1-3,10,14-16H,4-9,11,19H2;1H/t15-,16+;/m1./s1
InChIKeyDNNMIECTIPEMNQ-RCPFAERMSA-N
XLogP2.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.84
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propyloxolane-2-carboxamide
CID 120793404
(2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-2-carboxamide
CID 120783700
(2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-propan-2-yloxolane-2-carboxamide
CID 120787294
(2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120786657
N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119821577
(2S,5R)-5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-cyclopropyloxolane-2-carboxamide
CID 120786668
[(1S,2R)-2-aminocyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid
CID 69165945
(2S,5R)-5-(aminomethyl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 120788263
(2S,5R)-5-(aminomethyl)-N-[2-(3,5-difluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120790695
(2S,5R)-5-(aminomethyl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120796619
3-[3-[[5-(aminomethyl)oxolane-2-carbonyl]amino]phenyl]propanoic acid
CID 115339928
(2S,5R)-5-(aminomethyl)-N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]oxolane-2-carboxamide
CID 120790738

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride (CID 120793443) is (2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride is Cl.NC[C@H]1CC[C@@H](C(=O)N(CCc2cccc(F)c2)C2CC2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is DNNMIECTIPEMNQ-RCPFAERMSA-N. The full InChI is InChI=1S/C17H23FN2O2.ClH/c18-13-3-1-2-12(10-13)8-9-20(14-4-5-14)17(21)16-7-6-15(11-19)22-16;/h1-3,10,14-16H,4-9,11,19H2;1H/t15-,16+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 342.84 g/mol, XLogP of 2.29, 6 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-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120793443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).