ethyl 2-(butylamino)acetate

C8H17NO2 — CID 10607047

IUPACethyl 2-(butylamino)acetate
SMILESCCCCNCC(=O)OCC
InChIInChI=1S/C8H17NO2/c1-3-5-6-9-7-8(10)11-4-2/h9H,3-7H2,1-2H3
InChIKeyOJFGRDHUZSJJPB-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.94
Rot. Bonds6

About ethyl 2-(butylamino)acetate

ethyl 2-(butylamino)acetate (PubChem CID 10607047) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is ethyl 2-(butylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(butylamino)acetate
PubChem CID10607047
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nameethyl 2-(butylamino)acetate
SMILESCCCCNCC(=O)OCC
InChIInChI=1S/C8H17NO2/c1-3-5-6-9-7-8(10)11-4-2/h9H,3-7H2,1-2H3
InChIKeyOJFGRDHUZSJJPB-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.94
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 2-(butylamino)acetate?
The IUPAC name of ethyl 2-(butylamino)acetate (CID 10607047) is ethyl 2-(butylamino)acetate.
What is the SMILES notation for ethyl 2-(butylamino)acetate?
The canonical SMILES for ethyl 2-(butylamino)acetate is CCCCNCC(=O)OCC.
What is the InChIKey of ethyl 2-(butylamino)acetate?
The InChIKey is OJFGRDHUZSJJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-5-6-9-7-8(10)11-4-2/h9H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(butylamino)acetate?
ethyl 2-(butylamino)acetate has a molecular weight of 159.23 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(butylamino)acetate is sourced from PubChem (CID 10607047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).