(3S)-3-[(1S)-1-(N-ethylanilino)ethyl]oxolan-2-one

C14H19NO2 — CID 155933387

IUPAC(3S)-3-[(1S)-1-(N-ethylanilino)ethyl]oxolan-2-one
SMILESCCN(c1ccccc1)[C@@H](C)[C@@H]1CCOC1=O
InChIInChI=1S/C14H19NO2/c1-3-15(12-7-5-4-6-8-12)11(2)13-9-10-17-14(13)16/h4-8,11,13H,3,9-10H2,1-2H3/t11-,13-/m0/s1
InChIKeyGTAQYAVWLLHWGW-AAEUAGOBSA-N
MW233.31 g/mol
LogP2.46
Rot. Bonds4

About (3S)-3-[(1S)-1-(N-ethylanilino)ethyl]oxolan-2-one

(3S)-3-[(1S)-1-(N-ethylanilino)ethyl]oxolan-2-one (PubChem CID 155933387) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3S)-3-[(1S)-1-(N-ethylanilino)ethyl]oxolan-2-one.

Molecular Properties

Compound Name(3S)-3-[(1S)-1-(N-ethylanilino)ethyl]oxolan-2-one
PubChem CID155933387
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(3S)-3-[(1S)-1-(N-ethylanilino)ethyl]oxolan-2-one
SMILESCCN(c1ccccc1)[C@@H](C)[C@@H]1CCOC1=O
InChIInChI=1S/C14H19NO2/c1-3-15(12-7-5-4-6-8-12)11(2)13-9-10-17-14(13)16/h4-8,11,13H,3,9-10H2,1-2H3/t11-,13-/m0/s1
InChIKeyGTAQYAVWLLHWGW-AAEUAGOBSA-N
XLogP2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1S)-1-(N-ethylanilino)ethyl]oxolan-2-one?
The IUPAC name of (3S)-3-[(1S)-1-(N-ethylanilino)ethyl]oxolan-2-one (CID 155933387) is (3S)-3-[(1S)-1-(N-ethylanilino)ethyl]oxolan-2-one.
What is the SMILES notation for (3S)-3-[(1S)-1-(N-ethylanilino)ethyl]oxolan-2-one?
The canonical SMILES for (3S)-3-[(1S)-1-(N-ethylanilino)ethyl]oxolan-2-one is CCN(c1ccccc1)[C@@H](C)[C@@H]1CCOC1=O.
What is the InChIKey of (3S)-3-[(1S)-1-(N-ethylanilino)ethyl]oxolan-2-one?
The InChIKey is GTAQYAVWLLHWGW-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-15(12-7-5-4-6-8-12)11(2)13-9-10-17-14(13)16/h4-8,11,13H,3,9-10H2,1-2H3/t11-,13-/m0/s1.
What are the key properties of (3S)-3-[(1S)-1-(N-ethylanilino)ethyl]oxolan-2-one?
(3S)-3-[(1S)-1-(N-ethylanilino)ethyl]oxolan-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1S)-1-(N-ethylanilino)ethyl]oxolan-2-one is sourced from PubChem (CID 155933387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).