ethyl 2-[ethyl(5-hydroxypentanoyl)amino]acetate

C11H21NO4 — CID 107860351

IUPACethyl 2-[ethyl(5-hydroxypentanoyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)CCCCO
InChIInChI=1S/C11H21NO4/c1-3-12(9-11(15)16-4-2)10(14)7-5-6-8-13/h13H,3-9H2,1-2H3
InChIKeyPBSQCMAVOCUIRI-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.56
Rot. Bonds8

About ethyl 2-[ethyl(5-hydroxypentanoyl)amino]acetate

ethyl 2-[ethyl(5-hydroxypentanoyl)amino]acetate (PubChem CID 107860351) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethyl 2-[ethyl(5-hydroxypentanoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl(5-hydroxypentanoyl)amino]acetate
PubChem CID107860351
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nameethyl 2-[ethyl(5-hydroxypentanoyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)CCCCO
InChIInChI=1S/C11H21NO4/c1-3-12(9-11(15)16-4-2)10(14)7-5-6-8-13/h13H,3-9H2,1-2H3
InChIKeyPBSQCMAVOCUIRI-UHFFFAOYSA-N
XLogP0.56
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.56
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl(5-hydroxypentanoyl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl(5-hydroxypentanoyl)amino]acetate (CID 107860351) is ethyl 2-[ethyl(5-hydroxypentanoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl(5-hydroxypentanoyl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl(5-hydroxypentanoyl)amino]acetate is CCOC(=O)CN(CC)C(=O)CCCCO.
What is the InChIKey of ethyl 2-[ethyl(5-hydroxypentanoyl)amino]acetate?
The InChIKey is PBSQCMAVOCUIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-3-12(9-11(15)16-4-2)10(14)7-5-6-8-13/h13H,3-9H2,1-2H3.
What are the key properties of ethyl 2-[ethyl(5-hydroxypentanoyl)amino]acetate?
ethyl 2-[ethyl(5-hydroxypentanoyl)amino]acetate has a molecular weight of 231.29 g/mol, XLogP of 0.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl(5-hydroxypentanoyl)amino]acetate is sourced from PubChem (CID 107860351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).