[(2S,3S,4S)-4-acetamido-2-prop-2-enoxyhept-6-en-3-yl] acetate

C14H23NO4 — CID 11207929

IUPAC[(2S,3S,4S)-4-acetamido-2-prop-2-enoxyhept-6-en-3-yl] acetate
SMILESC=CCO[C@@H](C)[C@@H](OC(C)=O)[C@H](CC=C)NC(C)=O
InChIInChI=1S/C14H23NO4/c1-6-8-13(15-11(4)16)14(19-12(5)17)10(3)18-9-7-2/h6-7,10,13-14H,1-2,8-9H2,3-5H3,(H,15,16)/t10-,13-,14+/m0/s1
InChIKeyRIMRXFDCUVIEFX-LEWSCRJBSA-N
MW269.34 g/mol
LogP1.59
Rot. Bonds9

About [(2S,3S,4S)-4-acetamido-2-prop-2-enoxyhept-6-en-3-yl] acetate

[(2S,3S,4S)-4-acetamido-2-prop-2-enoxyhept-6-en-3-yl] acetate (PubChem CID 11207929) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is [(2S,3S,4S)-4-acetamido-2-prop-2-enoxyhept-6-en-3-yl] acetate.

Molecular Properties

Compound Name[(2S,3S,4S)-4-acetamido-2-prop-2-enoxyhept-6-en-3-yl] acetate
PubChem CID11207929
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name[(2S,3S,4S)-4-acetamido-2-prop-2-enoxyhept-6-en-3-yl] acetate
SMILESC=CCO[C@@H](C)[C@@H](OC(C)=O)[C@H](CC=C)NC(C)=O
InChIInChI=1S/C14H23NO4/c1-6-8-13(15-11(4)16)14(19-12(5)17)10(3)18-9-7-2/h6-7,10,13-14H,1-2,8-9H2,3-5H3,(H,15,16)/t10-,13-,14+/m0/s1
InChIKeyRIMRXFDCUVIEFX-LEWSCRJBSA-N
XLogP1.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4S)-4-acetamido-2-prop-2-enoxyhept-6-en-3-yl] acetate?
The IUPAC name of [(2S,3S,4S)-4-acetamido-2-prop-2-enoxyhept-6-en-3-yl] acetate (CID 11207929) is [(2S,3S,4S)-4-acetamido-2-prop-2-enoxyhept-6-en-3-yl] acetate.
What is the SMILES notation for [(2S,3S,4S)-4-acetamido-2-prop-2-enoxyhept-6-en-3-yl] acetate?
The canonical SMILES for [(2S,3S,4S)-4-acetamido-2-prop-2-enoxyhept-6-en-3-yl] acetate is C=CCO[C@@H](C)[C@@H](OC(C)=O)[C@H](CC=C)NC(C)=O.
What is the InChIKey of [(2S,3S,4S)-4-acetamido-2-prop-2-enoxyhept-6-en-3-yl] acetate?
The InChIKey is RIMRXFDCUVIEFX-LEWSCRJBSA-N. The full InChI is InChI=1S/C14H23NO4/c1-6-8-13(15-11(4)16)14(19-12(5)17)10(3)18-9-7-2/h6-7,10,13-14H,1-2,8-9H2,3-5H3,(H,15,16)/t10-,13-,14+/m0/s1.
What are the key properties of [(2S,3S,4S)-4-acetamido-2-prop-2-enoxyhept-6-en-3-yl] acetate?
[(2S,3S,4S)-4-acetamido-2-prop-2-enoxyhept-6-en-3-yl] acetate has a molecular weight of 269.34 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4S)-4-acetamido-2-prop-2-enoxyhept-6-en-3-yl] acetate is sourced from PubChem (CID 11207929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).