(2S,5R)-5-(aminomethyl)-N-(1,2-diphenylethyl)oxolane-2-carboxamide

C20H24N2O2 — CID 120784380

IUPAC(2S,5R)-5-(aminomethyl)-N-(1,2-diphenylethyl)oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NC(Cc2ccccc2)c2ccccc2)O1
InChIInChI=1S/C20H24N2O2/c21-14-17-11-12-19(24-17)20(23)22-18(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-10,17-19H,11-14,21H2,(H,22,23)/t17-,18?,19+/m1/s1
InChIKeyVFXBEDPMZOOCAX-KGNCLDLBSA-N
MW324.42 g/mol
LogP2.59
Rot. Bonds6

About (2S,5R)-5-(aminomethyl)-N-(1,2-diphenylethyl)oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-(1,2-diphenylethyl)oxolane-2-carboxamide (PubChem CID 120784380) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(1,2-diphenylethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(1,2-diphenylethyl)oxolane-2-carboxamide
PubChem CID120784380
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(1,2-diphenylethyl)oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NC(Cc2ccccc2)c2ccccc2)O1
InChIInChI=1S/C20H24N2O2/c21-14-17-11-12-19(24-17)20(23)22-18(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-10,17-19H,11-14,21H2,(H,22,23)/t17-,18?,19+/m1/s1
InChIKeyVFXBEDPMZOOCAX-KGNCLDLBSA-N
XLogP2.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(2-methylsulfinyl-1-phenylethyl)oxolane-2-carboxamide;hydrochloride
CID 120795105
(2S,5R)-5-(aminomethyl)-N-[2-(2-chlorophenyl)-1-phenylethyl]oxolane-2-carboxamide;hydrochloride
CID 120790575
(2S,5R)-5-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]oxolane-2-carboxamide;hydrochloride
CID 120791253
(2S,5R)-5-(aminomethyl)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]oxolane-2-carboxamide
CID 120793910
(2S,5R)-5-(aminomethyl)-N-(2,3-diphenylpropyl)oxolane-2-carboxamide;hydrochloride
CID 120794963
(2S,5R)-5-(aminomethyl)-N-(3-phenylbutan-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120793755
(2S,5R)-5-(aminomethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]oxolane-2-carboxamide
CID 120787050
(2S,5R)-5-(aminomethyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120790959
N-(2-amino-1-phenylethyl)-5-methyloxolane-2-carboxamide
CID 81327038
(2S,5R)-5-(aminomethyl)-N-[1-(4-chlorophenyl)-3-methylbutyl]oxolane-2-carboxamide
CID 120794616
(2R,5S)-5-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]oxolane-2-carboxylic acid
CID 107862091
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(1,2-diphenylethyl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(1,2-diphenylethyl)oxolane-2-carboxamide (CID 120784380) is (2S,5R)-5-(aminomethyl)-N-(1,2-diphenylethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(1,2-diphenylethyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(1,2-diphenylethyl)oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)NC(Cc2ccccc2)c2ccccc2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(1,2-diphenylethyl)oxolane-2-carboxamide?
The InChIKey is VFXBEDPMZOOCAX-KGNCLDLBSA-N. The full InChI is InChI=1S/C20H24N2O2/c21-14-17-11-12-19(24-17)20(23)22-18(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-10,17-19H,11-14,21H2,(H,22,23)/t17-,18?,19+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(1,2-diphenylethyl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-(1,2-diphenylethyl)oxolane-2-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 2.59, 6 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-(1,2-diphenylethyl)oxolane-2-carboxamide is sourced from PubChem (CID 120784380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).