ethyl 3-(3-hydroxypropylamino)-4-oxopentanoate

C10H19NO4 — CID 82322135

IUPACethyl 3-(3-hydroxypropylamino)-4-oxopentanoate
SMILESCCOC(=O)CC(NCCCO)C(C)=O
InChIInChI=1S/C10H19NO4/c1-3-15-10(14)7-9(8(2)13)11-5-4-6-12/h9,11-12H,3-7H2,1-2H3
InChIKeyFNANTNWPHIWTAG-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.13
Rot. Bonds8

About ethyl 3-(3-hydroxypropylamino)-4-oxopentanoate

ethyl 3-(3-hydroxypropylamino)-4-oxopentanoate (PubChem CID 82322135) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is ethyl 3-(3-hydroxypropylamino)-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 3-(3-hydroxypropylamino)-4-oxopentanoate
PubChem CID82322135
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nameethyl 3-(3-hydroxypropylamino)-4-oxopentanoate
SMILESCCOC(=O)CC(NCCCO)C(C)=O
InChIInChI=1S/C10H19NO4/c1-3-15-10(14)7-9(8(2)13)11-5-4-6-12/h9,11-12H,3-7H2,1-2H3
InChIKeyFNANTNWPHIWTAG-UHFFFAOYSA-N
XLogP-0.13
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 3-(3-hydroxypropylamino)-4-oxopentanoate 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 ethyl 3-(3-hydroxypropylamino)-4-oxopentanoate?
The IUPAC name of ethyl 3-(3-hydroxypropylamino)-4-oxopentanoate (CID 82322135) is ethyl 3-(3-hydroxypropylamino)-4-oxopentanoate.
What is the SMILES notation for ethyl 3-(3-hydroxypropylamino)-4-oxopentanoate?
The canonical SMILES for ethyl 3-(3-hydroxypropylamino)-4-oxopentanoate is CCOC(=O)CC(NCCCO)C(C)=O.
What is the InChIKey of ethyl 3-(3-hydroxypropylamino)-4-oxopentanoate?
The InChIKey is FNANTNWPHIWTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-3-15-10(14)7-9(8(2)13)11-5-4-6-12/h9,11-12H,3-7H2,1-2H3.
What are the key properties of ethyl 3-(3-hydroxypropylamino)-4-oxopentanoate?
ethyl 3-(3-hydroxypropylamino)-4-oxopentanoate has a molecular weight of 217.26 g/mol, XLogP of -0.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-hydroxypropylamino)-4-oxopentanoate is sourced from PubChem (CID 82322135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).