methyl 4-ethoxycarbonyliminopentanoate

C9H15NO4 — CID 163896162

IUPACmethyl 4-ethoxycarbonyliminopentanoate
SMILESCCOC(=O)N=C(C)CCC(=O)OC
InChIInChI=1S/C9H15NO4/c1-4-14-9(12)10-7(2)5-6-8(11)13-3/h4-6H2,1-3H3
InChIKeyQFUIQDJYCMNUDW-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.56
Rot. Bonds4

About methyl 4-ethoxycarbonyliminopentanoate

methyl 4-ethoxycarbonyliminopentanoate (PubChem CID 163896162) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is methyl 4-ethoxycarbonyliminopentanoate.

Molecular Properties

Compound Namemethyl 4-ethoxycarbonyliminopentanoate
PubChem CID163896162
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Namemethyl 4-ethoxycarbonyliminopentanoate
SMILESCCOC(=O)N=C(C)CCC(=O)OC
InChIInChI=1S/C9H15NO4/c1-4-14-9(12)10-7(2)5-6-8(11)13-3/h4-6H2,1-3H3
InChIKeyQFUIQDJYCMNUDW-UHFFFAOYSA-N
XLogP1.56
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze methyl 4-ethoxycarbonyliminopentanoate 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

Methyl 2-butoxycarbonyliminopropanoate
CID 56993207
Methyl 3-methyliminopentanoate
CID 123281491
Ethyl 2-methyliminopentanoate
CID 123582339
Methyl 4-methyliminopentanoate
CID 164008308

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethoxycarbonyliminopentanoate?
The IUPAC name of methyl 4-ethoxycarbonyliminopentanoate (CID 163896162) is methyl 4-ethoxycarbonyliminopentanoate.
What is the SMILES notation for methyl 4-ethoxycarbonyliminopentanoate?
The canonical SMILES for methyl 4-ethoxycarbonyliminopentanoate is CCOC(=O)N=C(C)CCC(=O)OC.
What is the InChIKey of methyl 4-ethoxycarbonyliminopentanoate?
The InChIKey is QFUIQDJYCMNUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-4-14-9(12)10-7(2)5-6-8(11)13-3/h4-6H2,1-3H3.
What are the key properties of methyl 4-ethoxycarbonyliminopentanoate?
methyl 4-ethoxycarbonyliminopentanoate has a molecular weight of 201.22 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethoxycarbonyliminopentanoate is sourced from PubChem (CID 163896162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).