(4S,5S)-4-amino-5-phenyloxolan-2-one

C10H11NO2 — CID 10867626

IUPAC(4S,5S)-4-amino-5-phenyloxolan-2-one
SMILESN[C@H]1CC(=O)O[C@H]1c1ccccc1
InChIInChI=1S/C10H11NO2/c11-8-6-9(12)13-10(8)7-4-2-1-3-5-7/h1-5,8,10H,6,11H2/t8-,10-/m0/s1
InChIKeyQEGJEFMWBBYVON-WPRPVWTQSA-N
MW177.20 g/mol
LogP1.00
Rot. Bonds1

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

(4S,5S)-4-amino-5-phenyloxolan-2-one (PubChem CID 10867626) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (4S,5S)-4-amino-5-phenyloxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-4-amino-5-phenyloxolan-2-one
PubChem CID10867626
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(4S,5S)-4-amino-5-phenyloxolan-2-one
SMILESN[C@H]1CC(=O)O[C@H]1c1ccccc1
InChIInChI=1S/C10H11NO2/c11-8-6-9(12)13-10(8)7-4-2-1-3-5-7/h1-5,8,10H,6,11H2/t8-,10-/m0/s1
InChIKeyQEGJEFMWBBYVON-WPRPVWTQSA-N
XLogP1.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5R)-4-amino-5-phenyloxolan-2-one;hydrochloride
CID 67643297
(4S)-4-amino-5-(4-fluorophenyl)oxolan-2-one
CID 70259290
(2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid
CID 825874
2-phenyl-3,4-dihydro-2H-chromen-3-amine
CID 12822974
(4S,5S)-4-(2-hydroxyethyl)-5-phenyloxolan-2-one
CID 11424286
(4S,5R)-4-methylsulfanyl-5-phenyloxolan-2-one
CID 132551217
4-(4-methylphenyl)-5-phenyloxolan-2-one
CID 144706058
4-(4-bromophenyl)-5-phenyloxolan-2-one
CID 144706057
4,6-diphenyloxan-2-one
CID 78061466
(4S,5R,6R)-5-acetyl-4,6-diphenyloxan-2-one
CID 15448194
(4R,5S)-4-azido-5-phenyloxolan-2-one
CID 10867402
4-(furan-2-yl)-5-phenyloxolan-2-one
CID 144706049

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-amino-5-phenyloxolan-2-one?
The IUPAC name of (4S,5S)-4-amino-5-phenyloxolan-2-one (CID 10867626) is (4S,5S)-4-amino-5-phenyloxolan-2-one.
What is the SMILES notation for (4S,5S)-4-amino-5-phenyloxolan-2-one?
The canonical SMILES for (4S,5S)-4-amino-5-phenyloxolan-2-one is N[C@H]1CC(=O)O[C@H]1c1ccccc1.
What is the InChIKey of (4S,5S)-4-amino-5-phenyloxolan-2-one?
The InChIKey is QEGJEFMWBBYVON-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H11NO2/c11-8-6-9(12)13-10(8)7-4-2-1-3-5-7/h1-5,8,10H,6,11H2/t8-,10-/m0/s1.
What are the key properties of (4S,5S)-4-amino-5-phenyloxolan-2-one?
(4S,5S)-4-amino-5-phenyloxolan-2-one has a molecular weight of 177.20 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-amino-5-phenyloxolan-2-one is sourced from PubChem (CID 10867626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).