ethyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]butanoate

C10H19NO4 — CID 64580670

IUPACethyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]butanoate
SMILESCCOC(=O)CCCNC(C)C(=O)OC
InChIInChI=1S/C10H19NO4/c1-4-15-9(12)6-5-7-11-8(2)10(13)14-3/h8,11H,4-7H2,1-3H3
InChIKeyYYFSLVINDYZZNX-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.48
Rot. Bonds7

About ethyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]butanoate

ethyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]butanoate (PubChem CID 64580670) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is ethyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]butanoate
PubChem CID64580670
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nameethyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]butanoate
SMILESCCOC(=O)CCCNC(C)C(=O)OC
InChIInChI=1S/C10H19NO4/c1-4-15-9(12)6-5-7-11-8(2)10(13)14-3/h8,11H,4-7H2,1-3H3
InChIKeyYYFSLVINDYZZNX-UHFFFAOYSA-N
XLogP0.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(3-ethoxy-3-oxopropyl)amino]propanoate
CID 61499632
ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60671920
ethyl 3-[(4-ethoxy-4-oxobutyl)amino]butanoate
CID 64579524
ethyl 4-[[1-(methylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60671956
ethyl 4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60720402
ethyl 4-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60677364
ethyl 2-[[4-(methylamino)-4-oxobutyl]amino]propanoate
CID 63890128
methyl 2-(octylamino)propanoate
CID 60780709
methyl 2-(tetradecylamino)propanoate
CID 174995791
ethyl 4-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]butanoate
CID 95358497
ethyl 2-[(4-ethoxy-4-oxobutyl)amino]butanoate
CID 64670192
ethyl 2-(hexylamino)propanoate
CID 13388952

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]butanoate?
The IUPAC name of ethyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]butanoate (CID 64580670) is ethyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]butanoate?
The canonical SMILES for ethyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]butanoate is CCOC(=O)CCCNC(C)C(=O)OC.
What is the InChIKey of ethyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]butanoate?
The InChIKey is YYFSLVINDYZZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-15-9(12)6-5-7-11-8(2)10(13)14-3/h8,11H,4-7H2,1-3H3.
What are the key properties of ethyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]butanoate?
ethyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]butanoate has a molecular weight of 217.26 g/mol, XLogP of 0.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]butanoate is sourced from PubChem (CID 64580670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).