(4S,5R)-4-amino-5-phenyloxolan-2-one;hydrochloride

C10H12ClNO2 — CID 67643297

IUPAC(4S,5R)-4-amino-5-phenyloxolan-2-one;hydrochloride
SMILESCl.N[C@H]1CC(=O)O[C@@H]1c1ccccc1
InChIInChI=1S/C10H11NO2.ClH/c11-8-6-9(12)13-10(8)7-4-2-1-3-5-7;/h1-5,8,10H,6,11H2;1H/t8-,10+;/m0./s1
InChIKeyXIUBITMKELHASL-KXNXZCPBSA-N
MW213.66 g/mol
LogP1.42
Rot. Bonds1

About (4S,5R)-4-amino-5-phenyloxolan-2-one;hydrochloride

(4S,5R)-4-amino-5-phenyloxolan-2-one;hydrochloride (PubChem CID 67643297) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is (4S,5R)-4-amino-5-phenyloxolan-2-one;hydrochloride.

Molecular Properties

Compound Name(4S,5R)-4-amino-5-phenyloxolan-2-one;hydrochloride
PubChem CID67643297
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name(4S,5R)-4-amino-5-phenyloxolan-2-one;hydrochloride
SMILESCl.N[C@H]1CC(=O)O[C@@H]1c1ccccc1
InChIInChI=1S/C10H11NO2.ClH/c11-8-6-9(12)13-10(8)7-4-2-1-3-5-7;/h1-5,8,10H,6,11H2;1H/t8-,10+;/m0./s1
InChIKeyXIUBITMKELHASL-KXNXZCPBSA-N
XLogP1.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-amino-5-phenyloxolan-2-one;hydrochloride?
The IUPAC name of (4S,5R)-4-amino-5-phenyloxolan-2-one;hydrochloride (CID 67643297) is (4S,5R)-4-amino-5-phenyloxolan-2-one;hydrochloride.
What is the SMILES notation for (4S,5R)-4-amino-5-phenyloxolan-2-one;hydrochloride?
The canonical SMILES for (4S,5R)-4-amino-5-phenyloxolan-2-one;hydrochloride is Cl.N[C@H]1CC(=O)O[C@@H]1c1ccccc1.
What is the InChIKey of (4S,5R)-4-amino-5-phenyloxolan-2-one;hydrochloride?
The InChIKey is XIUBITMKELHASL-KXNXZCPBSA-N. The full InChI is InChI=1S/C10H11NO2.ClH/c11-8-6-9(12)13-10(8)7-4-2-1-3-5-7;/h1-5,8,10H,6,11H2;1H/t8-,10+;/m0./s1.
What are the key properties of (4S,5R)-4-amino-5-phenyloxolan-2-one;hydrochloride?
(4S,5R)-4-amino-5-phenyloxolan-2-one;hydrochloride has a molecular weight of 213.66 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-amino-5-phenyloxolan-2-one;hydrochloride is sourced from PubChem (CID 67643297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).