(4S)-5-ethoxy-5-oxo-4-(2,2,3,3,3-pentafluoropropanoylamino)pentanoate

C10H11F5NO5- — CID 71408414

IUPAC(4S)-5-ethoxy-5-oxo-4-(2,2,3,3,3-pentafluoropropanoylamino)pentanoate
SMILESCCOC(=O)[C@H](CCC(=O)[O-])NC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F5NO5/c1-2-21-7(19)5(3-4-6(17)18)16-8(20)9(11,12)10(13,14)15/h5H,2-4H2,1H3,(H,16,20)(H,17,18)/p-1/t5-/m0/s1
InChIKeyPAALKBRXIUEPEQ-YFKPBYRVSA-M
MW320.19 g/mol
LogP-0.24
Rot. Bonds7

About (4S)-5-ethoxy-5-oxo-4-(2,2,3,3,3-pentafluoropropanoylamino)pentanoate

(4S)-5-ethoxy-5-oxo-4-(2,2,3,3,3-pentafluoropropanoylamino)pentanoate (PubChem CID 71408414) has the molecular formula C10H11F5NO5- and a molecular weight of 320.19 g/mol. Its IUPAC name is (4S)-5-ethoxy-5-oxo-4-(2,2,3,3,3-pentafluoropropanoylamino)pentanoate.

Molecular Properties

Compound Name(4S)-5-ethoxy-5-oxo-4-(2,2,3,3,3-pentafluoropropanoylamino)pentanoate
PubChem CID71408414
Molecular FormulaC10H11F5NO5-
Molecular Weight320.19 g/mol
Exact Mass320.06
IUPAC Name(4S)-5-ethoxy-5-oxo-4-(2,2,3,3,3-pentafluoropropanoylamino)pentanoate
SMILESCCOC(=O)[C@H](CCC(=O)[O-])NC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F5NO5/c1-2-21-7(19)5(3-4-6(17)18)16-8(20)9(11,12)10(13,14)15/h5H,2-4H2,1H3,(H,16,20)(H,17,18)/p-1/t5-/m0/s1
InChIKeyPAALKBRXIUEPEQ-YFKPBYRVSA-M
XLogP-0.24
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-5-ethoxy-5-oxo-4-(2,2,3,3,3-pentafluoropropanoylamino)pentanoate?
The IUPAC name of (4S)-5-ethoxy-5-oxo-4-(2,2,3,3,3-pentafluoropropanoylamino)pentanoate (CID 71408414) is (4S)-5-ethoxy-5-oxo-4-(2,2,3,3,3-pentafluoropropanoylamino)pentanoate.
What is the SMILES notation for (4S)-5-ethoxy-5-oxo-4-(2,2,3,3,3-pentafluoropropanoylamino)pentanoate?
The canonical SMILES for (4S)-5-ethoxy-5-oxo-4-(2,2,3,3,3-pentafluoropropanoylamino)pentanoate is CCOC(=O)[C@H](CCC(=O)[O-])NC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of (4S)-5-ethoxy-5-oxo-4-(2,2,3,3,3-pentafluoropropanoylamino)pentanoate?
The InChIKey is PAALKBRXIUEPEQ-YFKPBYRVSA-M. The full InChI is InChI=1S/C10H12F5NO5/c1-2-21-7(19)5(3-4-6(17)18)16-8(20)9(11,12)10(13,14)15/h5H,2-4H2,1H3,(H,16,20)(H,17,18)/p-1/t5-/m0/s1.
What are the key properties of (4S)-5-ethoxy-5-oxo-4-(2,2,3,3,3-pentafluoropropanoylamino)pentanoate?
(4S)-5-ethoxy-5-oxo-4-(2,2,3,3,3-pentafluoropropanoylamino)pentanoate has a molecular weight of 320.19 g/mol, XLogP of -0.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-ethoxy-5-oxo-4-(2,2,3,3,3-pentafluoropropanoylamino)pentanoate is sourced from PubChem (CID 71408414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).