3-aminopropyl 3-prop-2-enoyloxypropanoate

C9H15NO4 — CID 142038573

IUPAC3-aminopropyl 3-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OCCC(=O)OCCCN
InChIInChI=1S/C9H15NO4/c1-2-8(11)14-7-4-9(12)13-6-3-5-10/h2H,1,3-7,10H2
InChIKeyRENBLIPLRZUTRB-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.00
Rot. Bonds7

About 3-aminopropyl 3-prop-2-enoyloxypropanoate

3-aminopropyl 3-prop-2-enoyloxypropanoate (PubChem CID 142038573) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-aminopropyl 3-prop-2-enoyloxypropanoate.

Molecular Properties

Compound Name3-aminopropyl 3-prop-2-enoyloxypropanoate
PubChem CID142038573
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name3-aminopropyl 3-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OCCC(=O)OCCCN
InChIInChI=1S/C9H15NO4/c1-2-8(11)14-7-4-9(12)13-6-3-5-10/h2H,1,3-7,10H2
InChIKeyRENBLIPLRZUTRB-UHFFFAOYSA-N
XLogP-0.00
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-aminopropyl 3-prop-2-enoyloxypropanoate 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 3-aminopropyl 3-prop-2-enoyloxypropanoate?
The IUPAC name of 3-aminopropyl 3-prop-2-enoyloxypropanoate (CID 142038573) is 3-aminopropyl 3-prop-2-enoyloxypropanoate.
What is the SMILES notation for 3-aminopropyl 3-prop-2-enoyloxypropanoate?
The canonical SMILES for 3-aminopropyl 3-prop-2-enoyloxypropanoate is C=CC(=O)OCCC(=O)OCCCN.
What is the InChIKey of 3-aminopropyl 3-prop-2-enoyloxypropanoate?
The InChIKey is RENBLIPLRZUTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-2-8(11)14-7-4-9(12)13-6-3-5-10/h2H,1,3-7,10H2.
What are the key properties of 3-aminopropyl 3-prop-2-enoyloxypropanoate?
3-aminopropyl 3-prop-2-enoyloxypropanoate has a molecular weight of 201.22 g/mol, XLogP of -0.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl 3-prop-2-enoyloxypropanoate is sourced from PubChem (CID 142038573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).