4-oxo-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid

C9H11NO5 — CID 18534717

IUPAC4-oxo-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid
SMILESC=CCOC(=O)N1CC(=O)CC1C(=O)O
InChIInChI=1S/C9H11NO5/c1-2-3-15-9(14)10-5-6(11)4-7(10)8(12)13/h2,7H,1,3-5H2,(H,12,13)
InChIKeyAGPMSSAEEPNJPX-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.04
Rot. Bonds3

About 4-oxo-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid

4-oxo-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 18534717) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is 4-oxo-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID18534717
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Name4-oxo-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid
SMILESC=CCOC(=O)N1CC(=O)CC1C(=O)O
InChIInChI=1S/C9H11NO5/c1-2-3-15-9(14)10-5-6(11)4-7(10)8(12)13/h2,7H,1,3-5H2,(H,12,13)
InChIKeyAGPMSSAEEPNJPX-UHFFFAOYSA-N
XLogP0.04
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-oxo-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid 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

1-(2-Propen-1-yl) (2S)-1,2-pyrrolidinedicarboxylate
CID 10943483
(2S,4R)-N-Boc-4-Allyloxyproline
CID 66853728
d-Proline, N-allyloxycarbonyl-, allyl ester
CID 91721522
(2S,4R)-1-allyloxycarbonyl-2-methoxycarbonyl-4-hydroxypyrrolidine
CID 10633157
(2S,4R)-1-allyloxycarbonyl-2-carboxy-4-hydroxypyrrolidine
CID 18639171
(2S,4S)-1-[(prop-2-en-1-yloxy)carbonyl]-4-(trifluoromethoxy)pyrrolidine-2-carboxylic acid
CID 165908800
(2R,4S)-1-[(prop-2-en-1-yloxy)carbonyl]-4-(trifluoromethoxy)pyrrolidine-2-carboxylic acid
CID 165908802
(2S,4S)-4-fluoro-1-[(prop-2-en-1-yloxy)carbonyl]pyrrolidine-2-carboxylic acid
CID 165909710
(2S,4R)-4-fluoro-1-[(prop-2-en-1-yloxy)carbonyl]pyrrolidine-2-carboxylic acid
CID 165912186
rac-(2R,3S)-3-fluoro-1-[(prop-2-en-1-yloxy)carbonyl]pyrrolidine-2-carboxylic acid
CID 165917106
(2R,4R)-4-fluoro-1-[(prop-2-en-1-yloxy)carbonyl]pyrrolidine-2-carboxylic acid
CID 165917107
3,3-Difluoro-1-[(prop-2-en-1-yloxy)carbonyl]pyrrolidine-2-carboxylic acid
CID 165918405

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 4-oxo-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid (CID 18534717) is 4-oxo-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-oxo-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-oxo-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid is C=CCOC(=O)N1CC(=O)CC1C(=O)O.
What is the InChIKey of 4-oxo-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is AGPMSSAEEPNJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c1-2-3-15-9(14)10-5-6(11)4-7(10)8(12)13/h2,7H,1,3-5H2,(H,12,13).
What are the key properties of 4-oxo-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid?
4-oxo-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 213.19 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 18534717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).