propyl 1-(2-oxopropanoyl)pyrrolidine-2-carboxylate

C11H17NO4 — CID 20709685

IUPACpropyl 1-(2-oxopropanoyl)pyrrolidine-2-carboxylate
SMILESCCCOC(=O)C1CCCN1C(=O)C(C)=O
InChIInChI=1S/C11H17NO4/c1-3-7-16-11(15)9-5-4-6-12(9)10(14)8(2)13/h9H,3-7H2,1-2H3
InChIKeyYTUATDWFIHBZAC-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.52
Rot. Bonds4

About propyl 1-(2-oxopropanoyl)pyrrolidine-2-carboxylate

propyl 1-(2-oxopropanoyl)pyrrolidine-2-carboxylate (PubChem CID 20709685) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is propyl 1-(2-oxopropanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepropyl 1-(2-oxopropanoyl)pyrrolidine-2-carboxylate
PubChem CID20709685
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Namepropyl 1-(2-oxopropanoyl)pyrrolidine-2-carboxylate
SMILESCCCOC(=O)C1CCCN1C(=O)C(C)=O
InChIInChI=1S/C11H17NO4/c1-3-7-16-11(15)9-5-4-6-12(9)10(14)8(2)13/h9H,3-7H2,1-2H3
InChIKeyYTUATDWFIHBZAC-UHFFFAOYSA-N
XLogP0.52
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-O-(2-methoxyethyl) 2-O-propyl pyrrolidine-1,2-dicarboxylate
CID 91725937
propyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
CID 86586326
butyl (2S)-1-acetylpyrrolidine-2-carboxylate
CID 58391424
undecyl 1-acetylpyrrolidine-2-carboxylate
CID 85101195
hexyl (2S)-1-acetylpyrrolidine-2-carboxylate
CID 66695142
propyl (2S)-1-(2,2,3,3,4,4,4-heptafluorobutanoyl)pyrrolidine-2-carboxylate
CID 91979210
1-[(2S)-2-acetylpyrrolidin-1-yl]propane-1,2-dione
CID 59063523
2-O-octyl 1-O-propyl piperidine-1,2-dicarboxylate
CID 91725615
1-O-butyl 2-O-dodecyl pyrrolidine-1,2-dicarboxylate
CID 6424636
1-O-benzyl 2-O-propyl pyrrolidine-1,2-dicarboxylate
CID 91699700
propyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate
CID 91711961
1-O-propyl 2-O-undec-10-enyl (2S)-pyrrolidine-1,2-dicarboxylate
CID 20837169

Frequently Asked Questions

What is the IUPAC name of propyl 1-(2-oxopropanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of propyl 1-(2-oxopropanoyl)pyrrolidine-2-carboxylate (CID 20709685) is propyl 1-(2-oxopropanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for propyl 1-(2-oxopropanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for propyl 1-(2-oxopropanoyl)pyrrolidine-2-carboxylate is CCCOC(=O)C1CCCN1C(=O)C(C)=O.
What is the InChIKey of propyl 1-(2-oxopropanoyl)pyrrolidine-2-carboxylate?
The InChIKey is YTUATDWFIHBZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-3-7-16-11(15)9-5-4-6-12(9)10(14)8(2)13/h9H,3-7H2,1-2H3.
What are the key properties of propyl 1-(2-oxopropanoyl)pyrrolidine-2-carboxylate?
propyl 1-(2-oxopropanoyl)pyrrolidine-2-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 1-(2-oxopropanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 20709685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).