(3S,5S)-5-[(1S)-1-amino-2-phenylethyl]-3-benzyloxolan-2-one

C19H21NO2 — CID 15219012

IUPAC(3S,5S)-5-[(1S)-1-amino-2-phenylethyl]-3-benzyloxolan-2-one
SMILESN[C@@H](Cc1ccccc1)[C@@H]1C[C@H](Cc2ccccc2)C(=O)O1
InChIInChI=1S/C19H21NO2/c20-17(12-15-9-5-2-6-10-15)18-13-16(19(21)22-18)11-14-7-3-1-4-8-14/h1-10,16-18H,11-13,20H2/t16-,17-,18-/m0/s1
InChIKeyQDVMBHPJTGUOEX-BZSNNMDCSA-N
MW295.38 g/mol
LogP2.73
Rot. Bonds5

About (3S,5S)-5-[(1S)-1-amino-2-phenylethyl]-3-benzyloxolan-2-one

(3S,5S)-5-[(1S)-1-amino-2-phenylethyl]-3-benzyloxolan-2-one (PubChem CID 15219012) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (3S,5S)-5-[(1S)-1-amino-2-phenylethyl]-3-benzyloxolan-2-one.

Molecular Properties

Compound Name(3S,5S)-5-[(1S)-1-amino-2-phenylethyl]-3-benzyloxolan-2-one
PubChem CID15219012
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(3S,5S)-5-[(1S)-1-amino-2-phenylethyl]-3-benzyloxolan-2-one
SMILESN[C@@H](Cc1ccccc1)[C@@H]1C[C@H](Cc2ccccc2)C(=O)O1
InChIInChI=1S/C19H21NO2/c20-17(12-15-9-5-2-6-10-15)18-13-16(19(21)22-18)11-14-7-3-1-4-8-14/h1-10,16-18H,11-13,20H2/t16-,17-,18-/m0/s1
InChIKeyQDVMBHPJTGUOEX-BZSNNMDCSA-N
XLogP2.73
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-[(1S)-1-amino-2-phenylethyl]-3-benzyloxolan-2-one?
The IUPAC name of (3S,5S)-5-[(1S)-1-amino-2-phenylethyl]-3-benzyloxolan-2-one (CID 15219012) is (3S,5S)-5-[(1S)-1-amino-2-phenylethyl]-3-benzyloxolan-2-one.
What is the SMILES notation for (3S,5S)-5-[(1S)-1-amino-2-phenylethyl]-3-benzyloxolan-2-one?
The canonical SMILES for (3S,5S)-5-[(1S)-1-amino-2-phenylethyl]-3-benzyloxolan-2-one is N[C@@H](Cc1ccccc1)[C@@H]1C[C@H](Cc2ccccc2)C(=O)O1.
What is the InChIKey of (3S,5S)-5-[(1S)-1-amino-2-phenylethyl]-3-benzyloxolan-2-one?
The InChIKey is QDVMBHPJTGUOEX-BZSNNMDCSA-N. The full InChI is InChI=1S/C19H21NO2/c20-17(12-15-9-5-2-6-10-15)18-13-16(19(21)22-18)11-14-7-3-1-4-8-14/h1-10,16-18H,11-13,20H2/t16-,17-,18-/m0/s1.
What are the key properties of (3S,5S)-5-[(1S)-1-amino-2-phenylethyl]-3-benzyloxolan-2-one?
(3S,5S)-5-[(1S)-1-amino-2-phenylethyl]-3-benzyloxolan-2-one has a molecular weight of 295.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-[(1S)-1-amino-2-phenylethyl]-3-benzyloxolan-2-one is sourced from PubChem (CID 15219012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).