potassium (2R)-1-(4-methoxy-4-oxobut-2-en-2-yl)pyrrolidine-2-carboxylate

C10H14KNO4 — CID 158042256

IUPACpotassium (2R)-1-(4-methoxy-4-oxobut-2-en-2-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C=C(C)N1CCC[C@@H]1C(=O)[O-].[K+]
InChIInChI=1S/C10H15NO4.K/c1-7(6-9(12)15-2)11-5-3-4-8(11)10(13)14;/h6,8H,3-5H2,1-2H3,(H,13,14);/q;+1/p-1/t8-;/m1./s1
InChIKeyYJOJVPMOCQHXTM-DDWIOCJRSA-M
MW251.32 g/mol
LogP-3.72
Rot. Bonds3

About potassium (2R)-1-(4-methoxy-4-oxobut-2-en-2-yl)pyrrolidine-2-carboxylate

potassium (2R)-1-(4-methoxy-4-oxobut-2-en-2-yl)pyrrolidine-2-carboxylate (PubChem CID 158042256) has the molecular formula C10H14KNO4 and a molecular weight of 251.32 g/mol. Its IUPAC name is potassium (2R)-1-(4-methoxy-4-oxobut-2-en-2-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepotassium (2R)-1-(4-methoxy-4-oxobut-2-en-2-yl)pyrrolidine-2-carboxylate
PubChem CID158042256
Molecular FormulaC10H14KNO4
Molecular Weight251.32 g/mol
Exact Mass251.06
IUPAC Namepotassium (2R)-1-(4-methoxy-4-oxobut-2-en-2-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C=C(C)N1CCC[C@@H]1C(=O)[O-].[K+]
InChIInChI=1S/C10H15NO4.K/c1-7(6-9(12)15-2)11-5-3-4-8(11)10(13)14;/h6,8H,3-5H2,1-2H3,(H,13,14);/q;+1/p-1/t8-;/m1./s1
InChIKeyYJOJVPMOCQHXTM-DDWIOCJRSA-M
XLogP-3.72
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 5-3.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze potassium (2R)-1-(4-methoxy-4-oxobut-2-en-2-yl)pyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[(E)-4-carboxy-4-oxobut-2-en-2-yl]pyrrolidine-2-carboxylic acid
CID 137349216
potassium (2S)-1-tetradecanoylpyrrolidine-2-carboxylate
CID 177344572
potassium (2S)-1-methylpyrrolidine-2-carboxylate
CID 169244754
1-ethoxycarbonylpiperidine-2-carboxylate
CID 71341440
lithium (2R)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylate
CID 142547749
methyl (2S)-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate
CID 167424359
potassium (2S)-1-[(2S)-2-(ethylsulfonylamino)propanoyl]pyrrolidine-2-carboxylate
CID 23715032
methyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate
CID 121475348
dicyclohexylazanium;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate
CID 102601738
(2S)-1-[2-(4-methoxy-4-oxobut-2-enoyl)oxyacetyl]pyrrolidine-2-carboxylic acid
CID 66619116
(2R)-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 132526338
(2S)-1-benzoylpyrrolidine-2-carboxylate
CID 6988238

Frequently Asked Questions

What is the IUPAC name of potassium (2R)-1-(4-methoxy-4-oxobut-2-en-2-yl)pyrrolidine-2-carboxylate?
The IUPAC name of potassium (2R)-1-(4-methoxy-4-oxobut-2-en-2-yl)pyrrolidine-2-carboxylate (CID 158042256) is potassium (2R)-1-(4-methoxy-4-oxobut-2-en-2-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for potassium (2R)-1-(4-methoxy-4-oxobut-2-en-2-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for potassium (2R)-1-(4-methoxy-4-oxobut-2-en-2-yl)pyrrolidine-2-carboxylate is COC(=O)C=C(C)N1CCC[C@@H]1C(=O)[O-].[K+].
What is the InChIKey of potassium (2R)-1-(4-methoxy-4-oxobut-2-en-2-yl)pyrrolidine-2-carboxylate?
The InChIKey is YJOJVPMOCQHXTM-DDWIOCJRSA-M. The full InChI is InChI=1S/C10H15NO4.K/c1-7(6-9(12)15-2)11-5-3-4-8(11)10(13)14;/h6,8H,3-5H2,1-2H3,(H,13,14);/q;+1/p-1/t8-;/m1./s1.
What are the key properties of potassium (2R)-1-(4-methoxy-4-oxobut-2-en-2-yl)pyrrolidine-2-carboxylate?
potassium (2R)-1-(4-methoxy-4-oxobut-2-en-2-yl)pyrrolidine-2-carboxylate has a molecular weight of 251.32 g/mol, XLogP of -3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2R)-1-(4-methoxy-4-oxobut-2-en-2-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 158042256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).