(2S,5R)-5-(aminomethyl)-N-(1-benzylcyclobutyl)oxolane-2-carboxamide;hydrochloride

C17H25ClN2O2 — CID 120795417

IUPAC(2S,5R)-5-(aminomethyl)-N-(1-benzylcyclobutyl)oxolane-2-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)NC2(Cc3ccccc3)CCC2)O1
InChIInChI=1S/C17H24N2O2.ClH/c18-12-14-7-8-15(21-14)16(20)19-17(9-4-10-17)11-13-5-2-1-3-6-13;/h1-3,5-6,14-15H,4,7-12,18H2,(H,19,20);1H/t14-,15+;/m1./s1
InChIKeyVFYQJVKFZRYQIU-LIOBNPLQSA-N
MW324.85 g/mol
LogP2.20
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-(1-benzylcyclobutyl)oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-(1-benzylcyclobutyl)oxolane-2-carboxamide;hydrochloride (PubChem CID 120795417) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(1-benzylcyclobutyl)oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(1-benzylcyclobutyl)oxolane-2-carboxamide;hydrochloride
PubChem CID120795417
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(1-benzylcyclobutyl)oxolane-2-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)NC2(Cc3ccccc3)CCC2)O1
InChIInChI=1S/C17H24N2O2.ClH/c18-12-14-7-8-15(21-14)16(20)19-17(9-4-10-17)11-13-5-2-1-3-6-13;/h1-3,5-6,14-15H,4,7-12,18H2,(H,19,20);1H/t14-,15+;/m1./s1
InChIKeyVFYQJVKFZRYQIU-LIOBNPLQSA-N
XLogP2.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(1-ethylcyclobutyl)oxolane-2-carboxamide;hydrochloride
CID 120793811
(2S,5R)-5-(aminomethyl)-N-(1-phenylcyclopentyl)oxolane-2-carboxamide;hydrochloride
CID 120793343
(2S,5R)-5-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120785201
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
(2S,5R)-5-(aminomethyl)-N-(2-benzylsulfonylethyl)oxolane-2-carboxamide;hydrochloride
CID 120790043
(2S,5R)-5-(aminomethyl)-N-[3-(benzylamino)-3-oxopropyl]oxolane-2-carboxamide;hydrochloride
CID 120790955
(2S,5R)-5-(aminomethyl)-N-[1-(3-bromophenyl)cyclobutyl]oxolane-2-carboxamide
CID 120789412
(2S,5R)-5-(aminomethyl)-N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide;hydrochloride
CID 120792179
(2S,5R)-5-(aminomethyl)-N-(1,2-diphenylethyl)oxolane-2-carboxamide
CID 120784380
(2S,5R)-5-(aminomethyl)-N-(2,3-diphenylpropyl)oxolane-2-carboxamide;hydrochloride
CID 120794963
(2S,5R)-5-(aminomethyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120790959
(1-benzylcyclopentyl)urea
CID 86790395

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(1-benzylcyclobutyl)oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(1-benzylcyclobutyl)oxolane-2-carboxamide;hydrochloride (CID 120795417) is (2S,5R)-5-(aminomethyl)-N-(1-benzylcyclobutyl)oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(1-benzylcyclobutyl)oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(1-benzylcyclobutyl)oxolane-2-carboxamide;hydrochloride is Cl.NC[C@H]1CC[C@@H](C(=O)NC2(Cc3ccccc3)CCC2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(1-benzylcyclobutyl)oxolane-2-carboxamide;hydrochloride?
The InChIKey is VFYQJVKFZRYQIU-LIOBNPLQSA-N. The full InChI is InChI=1S/C17H24N2O2.ClH/c18-12-14-7-8-15(21-14)16(20)19-17(9-4-10-17)11-13-5-2-1-3-6-13;/h1-3,5-6,14-15H,4,7-12,18H2,(H,19,20);1H/t14-,15+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(1-benzylcyclobutyl)oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-(1-benzylcyclobutyl)oxolane-2-carboxamide;hydrochloride has a molecular weight of 324.85 g/mol, XLogP of 2.20, 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-(1-benzylcyclobutyl)oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120795417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).