ethyl 4-(methylamino)butanoate

C7H15NO2 — CID 14177892

IUPACethyl 4-(methylamino)butanoate
SMILESCCOC(=O)CCCNC
InChIInChI=1S/C7H15NO2/c1-3-10-7(9)5-4-6-8-2/h8H,3-6H2,1-2H3
InChIKeyXAABBBQBNHRYFN-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.55
Rot. Bonds5

About ethyl 4-(methylamino)butanoate

ethyl 4-(methylamino)butanoate (PubChem CID 14177892) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is ethyl 4-(methylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(methylamino)butanoate
PubChem CID14177892
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Nameethyl 4-(methylamino)butanoate
SMILESCCOC(=O)CCCNC
InChIInChI=1S/C7H15NO2/c1-3-10-7(9)5-4-6-8-2/h8H,3-6H2,1-2H3
InChIKeyXAABBBQBNHRYFN-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(methylamino)butanoate?
The IUPAC name of ethyl 4-(methylamino)butanoate (CID 14177892) is ethyl 4-(methylamino)butanoate.
What is the SMILES notation for ethyl 4-(methylamino)butanoate?
The canonical SMILES for ethyl 4-(methylamino)butanoate is CCOC(=O)CCCNC.
What is the InChIKey of ethyl 4-(methylamino)butanoate?
The InChIKey is XAABBBQBNHRYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-10-7(9)5-4-6-8-2/h8H,3-6H2,1-2H3.
What are the key properties of ethyl 4-(methylamino)butanoate?
ethyl 4-(methylamino)butanoate has a molecular weight of 145.20 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(methylamino)butanoate is sourced from PubChem (CID 14177892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).