(Z)-5-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethoxy]pent-3-enoic acid

C11H15NO5 — CID 145314565

IUPAC(Z)-5-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethoxy]pent-3-enoic acid
SMILESO=C(O)C/C=C\C(=O)OCCN1CCCC1=O
InChIInChI=1S/C11H15NO5/c13-9-3-2-6-12(9)7-8-17-11(16)5-1-4-10(14)15/h1,5H,2-4,6-8H2,(H,14,15)/b5-1-
InChIKeyXJMRHMMJEMWIJV-KTAJNNJTSA-N
MW241.24 g/mol
LogP0.18
Rot. Bonds6

About (Z)-5-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethoxy]pent-3-enoic acid

(Z)-5-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethoxy]pent-3-enoic acid (PubChem CID 145314565) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is (Z)-5-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethoxy]pent-3-enoic acid.

Molecular Properties

Compound Name(Z)-5-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethoxy]pent-3-enoic acid
PubChem CID145314565
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name(Z)-5-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethoxy]pent-3-enoic acid
SMILESO=C(O)C/C=C\C(=O)OCCN1CCCC1=O
InChIInChI=1S/C11H15NO5/c13-9-3-2-6-12(9)7-8-17-11(16)5-1-4-10(14)15/h1,5H,2-4,6-8H2,(H,14,15)/b5-1-
InChIKeyXJMRHMMJEMWIJV-KTAJNNJTSA-N
XLogP0.18
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

acetic acid;2-(2-oxoazepan-1-yl)ethyl (Z)-but-2-enoate
CID 145315243
2-(2-oxopyrrolidin-1-yl)ethyl carbamate
CID 118350046
(Z)-5-oxo-5-[6-(2-oxoazepan-1-yl)hexylamino]pent-3-enoic acid
CID 142474411
2-(2-oxopyrrolidin-1-yl)ethyl N-phenylcarbamate
CID 117060433
2-(2-oxopyrrolidin-1-yl)ethyl 2-chloro-2-methylbutanoate
CID 175623661
3-(2-oxopyrrolidin-1-yl)propyl acetate
CID 71390643
1,1-difluoro-2-oxo-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethanesulfonate
CID 58520241
2-(oxiran-2-yl)ethyl 2-(2-oxopyrrolidin-1-yl)ethyl carbonate
CID 88849448
2-(2-oxopyrrolidin-1-yl)ethyl 4-tert-butylbenzoate
CID 2375129
2-(2-oxopyrrolidin-1-yl)ethyl (Z)-2-cyano-3-phenylprop-2-enoate
CID 2408460
1-[4-[3-(2-oxopyrrolidin-1-yl)propoxy]butyl]pyrrolidin-2-one
CID 67634239
2-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonyloxy]ethyl 2,2,3-trimethylbutanoate
CID 130382780

Frequently Asked Questions

What is the IUPAC name of (Z)-5-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethoxy]pent-3-enoic acid?
The IUPAC name of (Z)-5-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethoxy]pent-3-enoic acid (CID 145314565) is (Z)-5-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethoxy]pent-3-enoic acid.
What is the SMILES notation for (Z)-5-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethoxy]pent-3-enoic acid?
The canonical SMILES for (Z)-5-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethoxy]pent-3-enoic acid is O=C(O)C/C=C\C(=O)OCCN1CCCC1=O.
What is the InChIKey of (Z)-5-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethoxy]pent-3-enoic acid?
The InChIKey is XJMRHMMJEMWIJV-KTAJNNJTSA-N. The full InChI is InChI=1S/C11H15NO5/c13-9-3-2-6-12(9)7-8-17-11(16)5-1-4-10(14)15/h1,5H,2-4,6-8H2,(H,14,15)/b5-1-.
What are the key properties of (Z)-5-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethoxy]pent-3-enoic acid?
(Z)-5-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethoxy]pent-3-enoic acid has a molecular weight of 241.24 g/mol, XLogP of 0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethoxy]pent-3-enoic acid is sourced from PubChem (CID 145314565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).