prop-2-enyl (2S,4R)-4-hydroxy-2-[(E)-3-(prop-2-enoxycarbonylamino)prop-1-enyl]pyrrolidine-1-carboxylate

C15H22N2O5 — CID 10662726

IUPACprop-2-enyl (2S,4R)-4-hydroxy-2-[(E)-3-(prop-2-enoxycarbonylamino)prop-1-enyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)NC/C=C/[C@@H]1C[C@@H](O)CN1C(=O)OCC=C
InChIInChI=1S/C15H22N2O5/c1-3-8-21-14(19)16-7-5-6-12-10-13(18)11-17(12)15(20)22-9-4-2/h3-6,12-13,18H,1-2,7-11H2,(H,16,19)/b6-5+/t12-,13-/m1/s1
InChIKeyOTOKZFJCKMGFGB-FBVTZJDUSA-N
MW310.35 g/mol
LogP1.21
Rot. Bonds7

About prop-2-enyl (2S,4R)-4-hydroxy-2-[(E)-3-(prop-2-enoxycarbonylamino)prop-1-enyl]pyrrolidine-1-carboxylate

prop-2-enyl (2S,4R)-4-hydroxy-2-[(E)-3-(prop-2-enoxycarbonylamino)prop-1-enyl]pyrrolidine-1-carboxylate (PubChem CID 10662726) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is prop-2-enyl (2S,4R)-4-hydroxy-2-[(E)-3-(prop-2-enoxycarbonylamino)prop-1-enyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2S,4R)-4-hydroxy-2-[(E)-3-(prop-2-enoxycarbonylamino)prop-1-enyl]pyrrolidine-1-carboxylate
PubChem CID10662726
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Nameprop-2-enyl (2S,4R)-4-hydroxy-2-[(E)-3-(prop-2-enoxycarbonylamino)prop-1-enyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)NC/C=C/[C@@H]1C[C@@H](O)CN1C(=O)OCC=C
InChIInChI=1S/C15H22N2O5/c1-3-8-21-14(19)16-7-5-6-12-10-13(18)11-17(12)15(20)22-9-4-2/h3-6,12-13,18H,1-2,7-11H2,(H,16,19)/b6-5+/t12-,13-/m1/s1
InChIKeyOTOKZFJCKMGFGB-FBVTZJDUSA-N
XLogP1.21
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 prop-2-enyl (2S,4R)-4-hydroxy-2-[(E)-3-(prop-2-enoxycarbonylamino)prop-1-enyl]pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl (2S,4R)-4-hydroxy-2-[(E)-3-(prop-2-enoxycarbonylamino)prop-1-enyl]pyrrolidine-1-carboxylate (CID 10662726) is prop-2-enyl (2S,4R)-4-hydroxy-2-[(E)-3-(prop-2-enoxycarbonylamino)prop-1-enyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (2S,4R)-4-hydroxy-2-[(E)-3-(prop-2-enoxycarbonylamino)prop-1-enyl]pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (2S,4R)-4-hydroxy-2-[(E)-3-(prop-2-enoxycarbonylamino)prop-1-enyl]pyrrolidine-1-carboxylate is C=CCOC(=O)NC/C=C/[C@@H]1C[C@@H](O)CN1C(=O)OCC=C.
What is the InChIKey of prop-2-enyl (2S,4R)-4-hydroxy-2-[(E)-3-(prop-2-enoxycarbonylamino)prop-1-enyl]pyrrolidine-1-carboxylate?
The InChIKey is OTOKZFJCKMGFGB-FBVTZJDUSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-3-8-21-14(19)16-7-5-6-12-10-13(18)11-17(12)15(20)22-9-4-2/h3-6,12-13,18H,1-2,7-11H2,(H,16,19)/b6-5+/t12-,13-/m1/s1.
What are the key properties of prop-2-enyl (2S,4R)-4-hydroxy-2-[(E)-3-(prop-2-enoxycarbonylamino)prop-1-enyl]pyrrolidine-1-carboxylate?
prop-2-enyl (2S,4R)-4-hydroxy-2-[(E)-3-(prop-2-enoxycarbonylamino)prop-1-enyl]pyrrolidine-1-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S,4R)-4-hydroxy-2-[(E)-3-(prop-2-enoxycarbonylamino)prop-1-enyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 10662726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).