2-anilino-N-[(3S)-2-oxooxolan-3-yl]acetamide

C12H14N2O3 — CID 16639273

IUPAC2-anilino-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESO=C(CNc1ccccc1)N[C@H]1CCOC1=O
InChIInChI=1S/C12H14N2O3/c15-11(14-10-6-7-17-12(10)16)8-13-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2,(H,14,15)/t10-/m0/s1
InChIKeyXTWWIPIIWZWOPE-JTQLQIEISA-N
MW234.25 g/mol
LogP0.53
Rot. Bonds4

About 2-anilino-N-[(3S)-2-oxooxolan-3-yl]acetamide

2-anilino-N-[(3S)-2-oxooxolan-3-yl]acetamide (PubChem CID 16639273) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-anilino-N-[(3S)-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(3S)-2-oxooxolan-3-yl]acetamide
PubChem CID16639273
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-anilino-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESO=C(CNc1ccccc1)N[C@H]1CCOC1=O
InChIInChI=1S/C12H14N2O3/c15-11(14-10-6-7-17-12(10)16)8-13-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2,(H,14,15)/t10-/m0/s1
InChIKeyXTWWIPIIWZWOPE-JTQLQIEISA-N
XLogP0.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The IUPAC name of 2-anilino-N-[(3S)-2-oxooxolan-3-yl]acetamide (CID 16639273) is 2-anilino-N-[(3S)-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for 2-anilino-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for 2-anilino-N-[(3S)-2-oxooxolan-3-yl]acetamide is O=C(CNc1ccccc1)N[C@H]1CCOC1=O.
What is the InChIKey of 2-anilino-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The InChIKey is XTWWIPIIWZWOPE-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14N2O3/c15-11(14-10-6-7-17-12(10)16)8-13-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2,(H,14,15)/t10-/m0/s1.
What are the key properties of 2-anilino-N-[(3S)-2-oxooxolan-3-yl]acetamide?
2-anilino-N-[(3S)-2-oxooxolan-3-yl]acetamide has a molecular weight of 234.25 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(3S)-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 16639273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).