tert-butyl 3-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoate

C12H24N2O4 — CID 103263911

IUPACtert-butyl 3-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoate
SMILESCOCCNC(=O)CNCCC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O4/c1-12(2,3)18-11(16)5-6-13-9-10(15)14-7-8-17-4/h13H,5-9H2,1-4H3,(H,14,15)
InChIKeyPXFKRVZHSASYCB-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.07
Rot. Bonds8

About tert-butyl 3-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoate

tert-butyl 3-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoate (PubChem CID 103263911) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is tert-butyl 3-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoate
PubChem CID103263911
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Nametert-butyl 3-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoate
SMILESCOCCNC(=O)CNCCC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O4/c1-12(2,3)18-11(16)5-6-13-9-10(15)14-7-8-17-4/h13H,5-9H2,1-4H3,(H,14,15)
InChIKeyPXFKRVZHSASYCB-UHFFFAOYSA-N
XLogP0.07
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-4,4-dimethylhexanoic acid
CID 65289318
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2-(butylamino)-N-(2-methoxyethyl)acetamide
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2-(2-methoxyethylamino)-N-(3-methoxypropyl)acetamide;hydrochloride
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N-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide
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CID 79282629

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoate?
The IUPAC name of tert-butyl 3-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoate (CID 103263911) is tert-butyl 3-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoate.
What is the SMILES notation for tert-butyl 3-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoate?
The canonical SMILES for tert-butyl 3-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoate is COCCNC(=O)CNCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoate?
The InChIKey is PXFKRVZHSASYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-12(2,3)18-11(16)5-6-13-9-10(15)14-7-8-17-4/h13H,5-9H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl 3-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoate?
tert-butyl 3-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoate has a molecular weight of 260.33 g/mol, XLogP of 0.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoate is sourced from PubChem (CID 103263911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).