ethyl 4-(butylamino)butanoate

C10H21NO2 — CID 60684542

IUPACethyl 4-(butylamino)butanoate
SMILESCCCCNCCCC(=O)OCC
InChIInChI=1S/C10H21NO2/c1-3-5-8-11-9-6-7-10(12)13-4-2/h11H,3-9H2,1-2H3
InChIKeyUUFWXKHGKCNRDJ-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.72
Rot. Bonds8

About ethyl 4-(butylamino)butanoate

ethyl 4-(butylamino)butanoate (PubChem CID 60684542) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is ethyl 4-(butylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(butylamino)butanoate
PubChem CID60684542
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameethyl 4-(butylamino)butanoate
SMILESCCCCNCCCC(=O)OCC
InChIInChI=1S/C10H21NO2/c1-3-5-8-11-9-6-7-10(12)13-4-2/h11H,3-9H2,1-2H3
InChIKeyUUFWXKHGKCNRDJ-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.72
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-(butylamino)butanoate?
The IUPAC name of ethyl 4-(butylamino)butanoate (CID 60684542) is ethyl 4-(butylamino)butanoate.
What is the SMILES notation for ethyl 4-(butylamino)butanoate?
The canonical SMILES for ethyl 4-(butylamino)butanoate is CCCCNCCCC(=O)OCC.
What is the InChIKey of ethyl 4-(butylamino)butanoate?
The InChIKey is UUFWXKHGKCNRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-5-8-11-9-6-7-10(12)13-4-2/h11H,3-9H2,1-2H3.
What are the key properties of ethyl 4-(butylamino)butanoate?
ethyl 4-(butylamino)butanoate has a molecular weight of 187.28 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(butylamino)butanoate is sourced from PubChem (CID 60684542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).