ethyl 2-[(2-oxoazepan-4-yl)amino]propanoate

C11H20N2O3 — CID 63903144

IUPACethyl 2-[(2-oxoazepan-4-yl)amino]propanoate
SMILESCCOC(=O)C(C)NC1CCCNC(=O)C1
InChIInChI=1S/C11H20N2O3/c1-3-16-11(15)8(2)13-9-5-4-6-12-10(14)7-9/h8-9,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyWBZHORKWCDRNCX-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.20
Rot. Bonds4

About ethyl 2-[(2-oxoazepan-4-yl)amino]propanoate

ethyl 2-[(2-oxoazepan-4-yl)amino]propanoate (PubChem CID 63903144) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethyl 2-[(2-oxoazepan-4-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2-oxoazepan-4-yl)amino]propanoate
PubChem CID63903144
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nameethyl 2-[(2-oxoazepan-4-yl)amino]propanoate
SMILESCCOC(=O)C(C)NC1CCCNC(=O)C1
InChIInChI=1S/C11H20N2O3/c1-3-16-11(15)8(2)13-9-5-4-6-12-10(14)7-9/h8-9,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyWBZHORKWCDRNCX-UHFFFAOYSA-N
XLogP0.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-oxoazepan-4-yl)amino]propanoate?
The IUPAC name of ethyl 2-[(2-oxoazepan-4-yl)amino]propanoate (CID 63903144) is ethyl 2-[(2-oxoazepan-4-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(2-oxoazepan-4-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[(2-oxoazepan-4-yl)amino]propanoate is CCOC(=O)C(C)NC1CCCNC(=O)C1.
What is the InChIKey of ethyl 2-[(2-oxoazepan-4-yl)amino]propanoate?
The InChIKey is WBZHORKWCDRNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-16-11(15)8(2)13-9-5-4-6-12-10(14)7-9/h8-9,13H,3-7H2,1-2H3,(H,12,14).
What are the key properties of ethyl 2-[(2-oxoazepan-4-yl)amino]propanoate?
ethyl 2-[(2-oxoazepan-4-yl)amino]propanoate has a molecular weight of 228.29 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-oxoazepan-4-yl)amino]propanoate is sourced from PubChem (CID 63903144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).