ethyl 6-(4-hydroxybutanoylamino)hexanoate

C12H23NO4 — CID 22957113

IUPACethyl 6-(4-hydroxybutanoylamino)hexanoate
SMILESCCOC(=O)CCCCCNC(=O)CCCO
InChIInChI=1S/C12H23NO4/c1-2-17-12(16)8-4-3-5-9-13-11(15)7-6-10-14/h14H,2-10H2,1H3,(H,13,15)
InChIKeyWYUYZCPBHPDEAH-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.00
Rot. Bonds10

About ethyl 6-(4-hydroxybutanoylamino)hexanoate

ethyl 6-(4-hydroxybutanoylamino)hexanoate (PubChem CID 22957113) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is ethyl 6-(4-hydroxybutanoylamino)hexanoate.

Molecular Properties

Compound Nameethyl 6-(4-hydroxybutanoylamino)hexanoate
PubChem CID22957113
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Nameethyl 6-(4-hydroxybutanoylamino)hexanoate
SMILESCCOC(=O)CCCCCNC(=O)CCCO
InChIInChI=1S/C12H23NO4/c1-2-17-12(16)8-4-3-5-9-13-11(15)7-6-10-14/h14H,2-10H2,1H3,(H,13,15)
InChIKeyWYUYZCPBHPDEAH-UHFFFAOYSA-N
XLogP1.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
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 6-(4-hydroxybutanoylamino)hexanoate?
The IUPAC name of ethyl 6-(4-hydroxybutanoylamino)hexanoate (CID 22957113) is ethyl 6-(4-hydroxybutanoylamino)hexanoate.
What is the SMILES notation for ethyl 6-(4-hydroxybutanoylamino)hexanoate?
The canonical SMILES for ethyl 6-(4-hydroxybutanoylamino)hexanoate is CCOC(=O)CCCCCNC(=O)CCCO.
What is the InChIKey of ethyl 6-(4-hydroxybutanoylamino)hexanoate?
The InChIKey is WYUYZCPBHPDEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-2-17-12(16)8-4-3-5-9-13-11(15)7-6-10-14/h14H,2-10H2,1H3,(H,13,15).
What are the key properties of ethyl 6-(4-hydroxybutanoylamino)hexanoate?
ethyl 6-(4-hydroxybutanoylamino)hexanoate has a molecular weight of 245.32 g/mol, XLogP of 1.00, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-hydroxybutanoylamino)hexanoate is sourced from PubChem (CID 22957113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).