tert-butyl (2S,3S)-2-[(2-methoxy-2-oxoethyl)-prop-2-enylcarbamoyl]-3-prop-2-enylpyrrolidine-1-carboxylate

C19H30N2O5 — CID 23726713

IUPACtert-butyl (2S,3S)-2-[(2-methoxy-2-oxoethyl)-prop-2-enylcarbamoyl]-3-prop-2-enylpyrrolidine-1-carboxylate
SMILESC=CC[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N(CC=C)CC(=O)OC
InChIInChI=1S/C19H30N2O5/c1-7-9-14-10-12-21(18(24)26-19(3,4)5)16(14)17(23)20(11-8-2)13-15(22)25-6/h7-8,14,16H,1-2,9-13H2,3-6H3/t14-,16-/m0/s1
InChIKeyBUAKOUDTYQEJEQ-HOCLYGCPSA-N
MW366.46 g/mol
LogP2.38
Rot. Bonds7

About tert-butyl (2S,3S)-2-[(2-methoxy-2-oxoethyl)-prop-2-enylcarbamoyl]-3-prop-2-enylpyrrolidine-1-carboxylate

tert-butyl (2S,3S)-2-[(2-methoxy-2-oxoethyl)-prop-2-enylcarbamoyl]-3-prop-2-enylpyrrolidine-1-carboxylate (PubChem CID 23726713) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is tert-butyl (2S,3S)-2-[(2-methoxy-2-oxoethyl)-prop-2-enylcarbamoyl]-3-prop-2-enylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3S)-2-[(2-methoxy-2-oxoethyl)-prop-2-enylcarbamoyl]-3-prop-2-enylpyrrolidine-1-carboxylate
PubChem CID23726713
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Nametert-butyl (2S,3S)-2-[(2-methoxy-2-oxoethyl)-prop-2-enylcarbamoyl]-3-prop-2-enylpyrrolidine-1-carboxylate
SMILESC=CC[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N(CC=C)CC(=O)OC
InChIInChI=1S/C19H30N2O5/c1-7-9-14-10-12-21(18(24)26-19(3,4)5)16(14)17(23)20(11-8-2)13-15(22)25-6/h7-8,14,16H,1-2,9-13H2,3-6H3/t14-,16-/m0/s1
InChIKeyBUAKOUDTYQEJEQ-HOCLYGCPSA-N
XLogP2.38
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.38
H-Bond Donors ≤ 50
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 tert-butyl (2S,3S)-2-[(2-methoxy-2-oxoethyl)-prop-2-enylcarbamoyl]-3-prop-2-enylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3S)-2-[(2-methoxy-2-oxoethyl)-prop-2-enylcarbamoyl]-3-prop-2-enylpyrrolidine-1-carboxylate (CID 23726713) is tert-butyl (2S,3S)-2-[(2-methoxy-2-oxoethyl)-prop-2-enylcarbamoyl]-3-prop-2-enylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3S)-2-[(2-methoxy-2-oxoethyl)-prop-2-enylcarbamoyl]-3-prop-2-enylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3S)-2-[(2-methoxy-2-oxoethyl)-prop-2-enylcarbamoyl]-3-prop-2-enylpyrrolidine-1-carboxylate is C=CC[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N(CC=C)CC(=O)OC.
What is the InChIKey of tert-butyl (2S,3S)-2-[(2-methoxy-2-oxoethyl)-prop-2-enylcarbamoyl]-3-prop-2-enylpyrrolidine-1-carboxylate?
The InChIKey is BUAKOUDTYQEJEQ-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H30N2O5/c1-7-9-14-10-12-21(18(24)26-19(3,4)5)16(14)17(23)20(11-8-2)13-15(22)25-6/h7-8,14,16H,1-2,9-13H2,3-6H3/t14-,16-/m0/s1.
What are the key properties of tert-butyl (2S,3S)-2-[(2-methoxy-2-oxoethyl)-prop-2-enylcarbamoyl]-3-prop-2-enylpyrrolidine-1-carboxylate?
tert-butyl (2S,3S)-2-[(2-methoxy-2-oxoethyl)-prop-2-enylcarbamoyl]-3-prop-2-enylpyrrolidine-1-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S)-2-[(2-methoxy-2-oxoethyl)-prop-2-enylcarbamoyl]-3-prop-2-enylpyrrolidine-1-carboxylate is sourced from PubChem (CID 23726713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).