methyl 4-hydroxy-1-[2-oxo-2-(prop-2-enylamino)ethyl]pyrrolidine-2-carboxylate

C11H18N2O4 — CID 112632836

IUPACmethyl 4-hydroxy-1-[2-oxo-2-(prop-2-enylamino)ethyl]pyrrolidine-2-carboxylate
SMILESC=CCNC(=O)CN1CC(O)CC1C(=O)OC
InChIInChI=1S/C11H18N2O4/c1-3-4-12-10(15)7-13-6-8(14)5-9(13)11(16)17-2/h3,8-9,14H,1,4-7H2,2H3,(H,12,15)
InChIKeyMHLOUCGKDXEMNJ-UHFFFAOYSA-N
MW242.27 g/mol
LogP-1.10
Rot. Bonds5

About methyl 4-hydroxy-1-[2-oxo-2-(prop-2-enylamino)ethyl]pyrrolidine-2-carboxylate

methyl 4-hydroxy-1-[2-oxo-2-(prop-2-enylamino)ethyl]pyrrolidine-2-carboxylate (PubChem CID 112632836) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is methyl 4-hydroxy-1-[2-oxo-2-(prop-2-enylamino)ethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-[2-oxo-2-(prop-2-enylamino)ethyl]pyrrolidine-2-carboxylate
PubChem CID112632836
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Namemethyl 4-hydroxy-1-[2-oxo-2-(prop-2-enylamino)ethyl]pyrrolidine-2-carboxylate
SMILESC=CCNC(=O)CN1CC(O)CC1C(=O)OC
InChIInChI=1S/C11H18N2O4/c1-3-4-12-10(15)7-13-6-8(14)5-9(13)11(16)17-2/h3,8-9,14H,1,4-7H2,2H3,(H,12,15)
InChIKeyMHLOUCGKDXEMNJ-UHFFFAOYSA-N
XLogP-1.10
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-1.10
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 methyl 4-hydroxy-1-[2-oxo-2-(prop-2-enylamino)ethyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-[2-oxo-2-(prop-2-enylamino)ethyl]pyrrolidine-2-carboxylate (CID 112632836) is methyl 4-hydroxy-1-[2-oxo-2-(prop-2-enylamino)ethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-[2-oxo-2-(prop-2-enylamino)ethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-[2-oxo-2-(prop-2-enylamino)ethyl]pyrrolidine-2-carboxylate is C=CCNC(=O)CN1CC(O)CC1C(=O)OC.
What is the InChIKey of methyl 4-hydroxy-1-[2-oxo-2-(prop-2-enylamino)ethyl]pyrrolidine-2-carboxylate?
The InChIKey is MHLOUCGKDXEMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-3-4-12-10(15)7-13-6-8(14)5-9(13)11(16)17-2/h3,8-9,14H,1,4-7H2,2H3,(H,12,15).
What are the key properties of methyl 4-hydroxy-1-[2-oxo-2-(prop-2-enylamino)ethyl]pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-[2-oxo-2-(prop-2-enylamino)ethyl]pyrrolidine-2-carboxylate has a molecular weight of 242.27 g/mol, XLogP of -1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-[2-oxo-2-(prop-2-enylamino)ethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 112632836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).