pyrrolidin-1-yl 3-(prop-2-enoylamino)propanoate

C10H16N2O3 — CID 58732077

IUPACpyrrolidin-1-yl 3-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NCCC(=O)ON1CCCC1
InChIInChI=1S/C10H16N2O3/c1-2-9(13)11-6-5-10(14)15-12-7-3-4-8-12/h2H,1,3-8H2,(H,11,13)
InChIKeyZGKCBSINIIILLS-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.23
Rot. Bonds5

About pyrrolidin-1-yl 3-(prop-2-enoylamino)propanoate

pyrrolidin-1-yl 3-(prop-2-enoylamino)propanoate (PubChem CID 58732077) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is pyrrolidin-1-yl 3-(prop-2-enoylamino)propanoate.

Molecular Properties

Compound Namepyrrolidin-1-yl 3-(prop-2-enoylamino)propanoate
PubChem CID58732077
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namepyrrolidin-1-yl 3-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NCCC(=O)ON1CCCC1
InChIInChI=1S/C10H16N2O3/c1-2-9(13)11-6-5-10(14)15-12-7-3-4-8-12/h2H,1,3-8H2,(H,11,13)
InChIKeyZGKCBSINIIILLS-UHFFFAOYSA-N
XLogP0.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze pyrrolidin-1-yl 3-(prop-2-enoylamino)propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl 3-(prop-2-enoylamino)propanoate?
The IUPAC name of pyrrolidin-1-yl 3-(prop-2-enoylamino)propanoate (CID 58732077) is pyrrolidin-1-yl 3-(prop-2-enoylamino)propanoate.
What is the SMILES notation for pyrrolidin-1-yl 3-(prop-2-enoylamino)propanoate?
The canonical SMILES for pyrrolidin-1-yl 3-(prop-2-enoylamino)propanoate is C=CC(=O)NCCC(=O)ON1CCCC1.
What is the InChIKey of pyrrolidin-1-yl 3-(prop-2-enoylamino)propanoate?
The InChIKey is ZGKCBSINIIILLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-2-9(13)11-6-5-10(14)15-12-7-3-4-8-12/h2H,1,3-8H2,(H,11,13).
What are the key properties of pyrrolidin-1-yl 3-(prop-2-enoylamino)propanoate?
pyrrolidin-1-yl 3-(prop-2-enoylamino)propanoate has a molecular weight of 212.25 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl 3-(prop-2-enoylamino)propanoate is sourced from PubChem (CID 58732077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).