ethyl 4-(methoxycarbonylamino)butanoate

C8H15NO4 — CID 14940598

IUPACethyl 4-(methoxycarbonylamino)butanoate
SMILESCCOC(=O)CCCNC(=O)OC
InChIInChI=1S/C8H15NO4/c1-3-13-7(10)5-4-6-9-8(11)12-2/h3-6H2,1-2H3,(H,9,11)
InChIKeyWQYQFXUBOMCRLI-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.69
Rot. Bonds5

About ethyl 4-(methoxycarbonylamino)butanoate

ethyl 4-(methoxycarbonylamino)butanoate (PubChem CID 14940598) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is ethyl 4-(methoxycarbonylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(methoxycarbonylamino)butanoate
PubChem CID14940598
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Nameethyl 4-(methoxycarbonylamino)butanoate
SMILESCCOC(=O)CCCNC(=O)OC
InChIInChI=1S/C8H15NO4/c1-3-13-7(10)5-4-6-9-8(11)12-2/h3-6H2,1-2H3,(H,9,11)
InChIKeyWQYQFXUBOMCRLI-UHFFFAOYSA-N
XLogP0.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(methoxycarbonylamino)butanoate?
The IUPAC name of ethyl 4-(methoxycarbonylamino)butanoate (CID 14940598) is ethyl 4-(methoxycarbonylamino)butanoate.
What is the SMILES notation for ethyl 4-(methoxycarbonylamino)butanoate?
The canonical SMILES for ethyl 4-(methoxycarbonylamino)butanoate is CCOC(=O)CCCNC(=O)OC.
What is the InChIKey of ethyl 4-(methoxycarbonylamino)butanoate?
The InChIKey is WQYQFXUBOMCRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-3-13-7(10)5-4-6-9-8(11)12-2/h3-6H2,1-2H3,(H,9,11).
What are the key properties of ethyl 4-(methoxycarbonylamino)butanoate?
ethyl 4-(methoxycarbonylamino)butanoate has a molecular weight of 189.21 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(methoxycarbonylamino)butanoate is sourced from PubChem (CID 14940598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).